CN111892960B - Gasoline blending method, system, equipment and storage medium - Google Patents
Gasoline blending method, system, equipment and storage medium Download PDFInfo
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- CN111892960B CN111892960B CN202010533875.3A CN202010533875A CN111892960B CN 111892960 B CN111892960 B CN 111892960B CN 202010533875 A CN202010533875 A CN 202010533875A CN 111892960 B CN111892960 B CN 111892960B
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- C—CHEMISTRY; METALLURGY
- C10—PETROLEUM, GAS OR COKE INDUSTRIES; TECHNICAL GASES CONTAINING CARBON MONOXIDE; FUELS; LUBRICANTS; PEAT
- C10L—FUELS NOT OTHERWISE PROVIDED FOR; NATURAL GAS; SYNTHETIC NATURAL GAS OBTAINED BY PROCESSES NOT COVERED BY SUBCLASSES C10G, C10K; LIQUEFIED PETROLEUM GAS; ADDING MATERIALS TO FUELS OR FIRES TO REDUCE SMOKE OR UNDESIRABLE DEPOSITS OR TO FACILITATE SOOT REMOVAL; FIRELIGHTERS
- C10L1/00—Liquid carbonaceous fuels
- C10L1/04—Liquid carbonaceous fuels essentially based on blends of hydrocarbons
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- G06—COMPUTING; CALCULATING OR COUNTING
- G06Q—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR ADMINISTRATIVE, COMMERCIAL, FINANCIAL, MANAGERIAL OR SUPERVISORY PURPOSES; SYSTEMS OR METHODS SPECIALLY ADAPTED FOR ADMINISTRATIVE, COMMERCIAL, FINANCIAL, MANAGERIAL OR SUPERVISORY PURPOSES, NOT OTHERWISE PROVIDED FOR
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- G06Q—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR ADMINISTRATIVE, COMMERCIAL, FINANCIAL, MANAGERIAL OR SUPERVISORY PURPOSES; SYSTEMS OR METHODS SPECIALLY ADAPTED FOR ADMINISTRATIVE, COMMERCIAL, FINANCIAL, MANAGERIAL OR SUPERVISORY PURPOSES, NOT OTHERWISE PROVIDED FOR
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- G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
- G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
- G16C20/30—Prediction of properties of chemical compounds, compositions or mixtures
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- G16C20/50—Molecular design, e.g. of drugs
Abstract
The invention provides a gasoline blending method, a system, equipment and a storage medium. The gasoline blending method comprises the following steps: the method comprises the steps of blending gasoline blending raw materials according to a preset rule set to obtain a plurality of groups of mixed gasoline products, blending the gasoline blending raw materials according to the adjusted preset rule set when the gasoline physical properties of any mixed gasoline product do not meet any preset standard or the accumulated benefit of the mixed gasoline product does not reach the maximum value, adjusting the preset rule set, blending the gasoline blending raw materials according to the adjusted preset rule set, and obtaining the mixed gasoline product again until the gasoline physical properties of all the mixed gasoline products meet any preset standard in the preset standard set and the accumulated benefit of all the mixed gasoline products reach the maximum value.
Description
Technical Field
The invention relates to the technical field of petroleum processing, in particular to a gasoline blending method, a system, equipment and a storage medium.
Background
With the increasing environmental protection requirements of China, gasoline is required to meet more strict emission standards. Meanwhile, along with the rise of the oil price in the world, the oil refining enterprises must realize quality card edge control to improve the benefits.
The motor gasoline currently entering the market is not produced by a single oil refining process, but is prepared by blending a gasoline component generated in the crude oil distillation process and gasoline components produced in a plurality of secondary processes. This gasoline blended from two or more components is called a blended gasoline.
In the existing gasoline blending process, the yield of the blended gasoline obtained each time is large, if the physical properties of the blended gasoline do not meet the national standards of various brands of motor gasoline, the blended gasoline cannot enter the market, although the blended gasoline can be blended continuously, so that the blended gasoline can meet the standards finally, but repeated blending can generate a large amount of unnecessary extra cost, thereby reducing the final benefit.
Disclosure of Invention
To solve the problems of the prior art, at least one embodiment of the present invention provides a gasoline blending method, system, device and storage medium.
In a first aspect, embodiments of the present invention provide a gasoline blending method, including:
blending all groups of gasoline blending raw materials according to a preset rule set to obtain a plurality of groups of mixed gasoline products;
respectively calculating the gasoline physical properties of each group of mixed gasoline products, and judging whether the gasoline physical properties of each group of mixed gasoline products meet any preset standard in a preset standard set;
optionally, calculating the cumulative benefit of all the mixed gasoline products, and judging whether the cumulative benefit reaches the maximum value;
if the gasoline physical properties of any mixed gasoline product do not meet any preset standard or the accumulated benefit does not reach the maximum value, adjusting the preset rules in the preset rule set, blending each gasoline blending raw material according to the adjusted preset rule set, and obtaining a plurality of groups of mixed gasoline products again; until the gasoline physical properties of each group of mixed gasoline products (the gasoline physical properties of the mixed gasoline products can be obtained by recalculation according to previous supplement) meet any preset standard in a preset standard set, and if the accumulated benefit of the mixed gasoline products is judged to reach the maximum value, the accumulated benefit of all the mixed gasoline products needs to be further realized to reach the maximum value.
Specifically, the method comprises the following steps: the blending method comprises the following steps: blending each group of gasoline blending raw materials according to a preset rule set to obtain a plurality of groups of mixed gasoline products;
respectively calculating the gasoline physical properties of each group of mixed gasoline products, and judging whether the gasoline physical properties of each group of mixed gasoline products meet any preset standard in a preset standard set;
if the gasoline physical properties of any mixed gasoline product do not meet any preset standard, adjusting preset rules in the preset rule set, blending each gasoline blend raw material according to the adjusted preset rule set, and obtaining multiple groups of mixed gasoline products again (the gasoline physical properties of the mixed gasoline products can be obtained by recalculating according to previous supplement); until the gasoline physical property of each group of the mixed gasoline product meets any preset standard in a preset standard set. Or
The blending method comprises the following steps:
blending all groups of gasoline blending raw materials according to a preset rule set to obtain a plurality of groups of mixed gasoline products;
respectively calculating the gasoline physical properties of each group of mixed gasoline products, and judging whether the gasoline physical properties of each group of mixed gasoline products meet any preset standard in a preset standard set;
calculating the cumulative benefit of all the mixed gasoline products, and judging whether the cumulative benefit reaches the maximum value;
if the gasoline physical properties of any mixed gasoline product do not meet any preset standard or the accumulated benefit does not reach the maximum value, adjusting the preset rules in the preset rule set, blending each gasoline blending raw material according to the adjusted preset rule set, and obtaining a plurality of groups of mixed gasoline products again; and until the gasoline physical properties of each group of mixed gasoline products meet any preset standard in a preset standard set, and judging whether the accumulated benefit reaches the maximum value or not, wherein the accumulated benefit of all the mixed gasoline products reaches the maximum value.
In the above scheme, when the gasoline physical properties of each group of the mixed gasoline products meet any one preset standard in a preset standard set, and if "calculating the cumulative benefit of all the mixed gasoline products and judging whether the cumulative benefit reaches the maximum value" is implemented, the cumulative benefit of all the mixed gasoline products reaches the maximum value, the scheme at this time can be considered to be a better scheme; the production and processing according to the scheme can be considered; specifically, the preset rule set may be used as the optimal blending ratio.
The blending method specifically comprises the following steps:
blending all groups of gasoline blending raw materials according to a preset rule set to obtain a plurality of groups of mixed gasoline products;
respectively calculating the gasoline physical properties of each group of mixed gasoline products, and judging whether the gasoline physical properties of each group of mixed gasoline products meet any preset standard in a preset standard set;
if the gasoline physical properties of each group of mixed gasoline products meet any one preset standard in a preset standard set, calculating the accumulated benefit of all the mixed gasoline products, and judging whether the accumulated benefit reaches the maximum value;
if the accumulated benefit reaches the maximum value, taking the preset rule set as the optimal blending proportion;
and if the cumulative benefit does not reach the maximum value, adjusting the preset rules in the preset rule set, blending the gasoline blending raw materials according to the adjusted preset rule set, and obtaining multiple groups of mixed gasoline products again until the gasoline physical properties of each group of mixed gasoline products meet any preset standard in the preset standard set, and the cumulative benefit of all the mixed gasoline products reaches the maximum value.
Based on the above technical solutions, the embodiments of the present invention may be further improved as follows.
In combination with the first aspect, in a first embodiment of the first aspect, before the calculating the cumulative benefit of all of the blended gasoline product, the blending method further comprises:
obtaining the ratio of the yield of the target product in all the mixed gasoline products;
judging whether the ratio value accords with a preset ratio value interval or not;
if the ratio accords with the preset ratio interval, executing the step of calculating the cumulative benefits of all the mixed gasoline products;
if the ratio does not accord with the preset ratio interval, adjusting the preset rules in the preset rule set, blending each gasoline blending raw material according to the adjusted preset rule set, and obtaining multiple groups of mixed gasoline products again until the ratio accords with the preset ratio interval.
With reference to the first aspect, in a second embodiment of the first aspect, the blending method further comprises, before calculating the cumulative benefit of all of the blended gasoline products:
obtaining the consumption of each group of the gasoline blending stock;
determining the consumption of the target gasoline blend stock according to the consumption of each group of the gasoline blend stocks;
judging whether the consumption of the target gasoline blending raw material accords with a preset consumption interval or not;
if the consumption of the target gasoline blending raw material accords with a preset consumption interval, executing the step of calculating the cumulative benefits of all the mixed gasoline products;
and if the consumption of the target gasoline blending raw material does not accord with a preset consumption interval, adjusting preset rules in the preset rule set, blending each gasoline blending raw material according to the adjusted preset rule set, and obtaining multiple groups of mixed gasoline products again until the consumption of the target gasoline blending raw material accords with the preset consumption interval.
With reference to the first aspect, in a third embodiment of the first aspect, the blending method further includes:
and if the gasoline physical properties of any group of mixed gasoline products do not accord with any preset standard in the preset standard set, adjusting the preset rules in the preset rule set, blending all the gasoline blending raw materials according to the adjusted preset rule set, and obtaining multiple groups of mixed gasoline products again until the gasoline physical properties of each group of mixed gasoline products accord with any preset standard in the preset standard set.
With reference to the first aspect, in a fourth embodiment of the first aspect, the separately calculating gasoline physical properties of each set of blended gasoline products comprises:
obtaining a first molecular composition for each group of the gasoline blend stock and a first component content for each single molecule;
obtaining a second molecular composition of each group of mixed gasoline products and a second component content of each single molecule according to the first molecular composition of each group of the gasoline blending stock and the first component content of each single molecule according to the preset rule set;
calculating the physical properties of each single molecule according to the number of groups of each group contained in each single molecule of each group of mixed gasoline products and the contribution value of each group to the physical properties;
and calculating the physical properties of each group of mixed gasoline products according to the physical properties of each single molecule and the content of the second component in each group of mixed gasoline products.
In combination with the fourth embodiment of the first aspect, in the fifth embodiment of the first aspect, the calculating physical properties of each single molecule includes:
for each single molecule, acquiring the number of groups of each group constituting the single molecule, and acquiring a contribution value of each of the groups to physical properties;
inputting the number of groups of each group constituting the single molecule and the contribution value of each group to the physical property into a physical property calculation model trained in advance, and acquiring the physical property of the single molecule output by the physical property calculation model.
With reference to the fifth embodiment of the first aspect, in a sixth embodiment of the first aspect, before the inputting the number of groups of each group constituting the single molecule and the contribution value of each group to the physical property into the physical property calculation model trained in advance, the gasoline blending method further includes:
comparing the number of groups of each group forming the single molecule with the pre-stored molecular information of the template single molecule with known physical properties in a database; the molecular information includes: the number of groups of each group constituting a single molecule of the template;
determining whether the template single molecule identical to the single molecule is present;
if the template single molecule identical to the single molecule exists, outputting the physical property of the template single molecule as the physical property of the single molecule;
and if the template single molecule identical to the single molecule does not exist, inputting the number of groups per group constituting the single molecule and the contribution value of each group to the physical property into a physical property calculation model trained in advance.
With reference to the fifth embodiment of the first aspect, in a seventh embodiment of the first aspect, the step of training the property calculation model includes:
constructing a physical property calculation model of a single molecule;
obtaining the number of groups of each group constituting a single molecule of the sample; the physical properties of the sample single molecules are known;
inputting the number of groups of each group contained in a single molecule of the sample into the physical property calculation model;
obtaining the predicted physical property of the sample single molecule output by the physical property calculation model;
if the deviation value between the predicted physical property and the known physical property is smaller than a preset deviation threshold value, determining that the physical property calculation model converges, acquiring a contribution value corresponding to each group in the converged physical property calculation model, and storing the contribution value as the contribution value of the group to the physical property;
if the deviation value between the predicted physical property and the known physical property is equal to or greater than the deviation threshold value, the contribution value corresponding to each group in the physical property calculation model is adjusted until the physical property calculation model converges.
With reference to the seventh embodiment of the first aspect, in an eighth embodiment of the first aspect, the constructing a single-molecule physical property calculation model includes:
the following physical property calculation model was established:
wherein f is the physical property of a single molecule of the sample, and n i Number of groups of i-th group,. DELTA.f i The contribution value of the i-th group to the physical property, and a is a correlation constant.
With reference to the seventh embodiment of the first aspect, in the ninth embodiment of the first aspect, the obtaining the number of groups per group constituting a single molecule of the sample comprises:
determining a primary group, the group number of the multilevel group and the group number of the multilevel group in all groups of the single molecule of the sample;
all groups constituting a single molecule are taken as primary groups;
a plurality of groups which exist simultaneously and contribute to the same physical property are defined as a multi-stage group, and the number of the plurality of groups is defined as the order of the multi-stage group.
With reference to the ninth embodiment of the first aspect, in a tenth embodiment of the first aspect,
the following physical property calculation model is established:
wherein f is the physical property of a single molecule of the sample, m 1i Number of groups of the i-th group in the primary group,. DELTA.f 1i M is the value of the contribution of the i-th group in the primary group to the physical properties 2j Is the number of groups of the jth group in the secondary group,. DELTA.f 2j Is the contribution value of the jth group in the secondary group to the physical property; m is Nl Is the number of groups of the group I in the N-th group,. DELTA.f Nl Is the contribution value of the first group in the N-grade groups to physical properties; a is a correlation constant; n is a positive integer greater than or equal to 2.
With reference to the fifth embodiment of the first aspect, in the eleventh embodiment of the first aspect, the obtaining the number of groups per group constituting the single molecule comprises:
determining a primary group, the number of groups of the multilevel group and the number of groups of the multilevel group in all groups of the single molecule;
all groups constituting a single molecule are taken as primary groups;
a plurality of groups which exist simultaneously and contribute to the common existence of the same physical property are used as a multi-stage group, and the number of the plurality of groups is used as the level of the multi-stage group.
In combination with the eleventh embodiment of the first aspect, in the twelfth embodiment of the first aspect,
the physical properties of the single molecule include: the boiling point of a single molecule;
the physical property calculation model determines the boiling point of the single molecule as follows:
wherein T is the boiling point of the single molecule, SOL is the monomolecular vector converted according to the number of GROUPs of each GROUP constituting the single molecule, GROUP 11 GROUP, a first contribution vector converted from the contribution of the primary GROUP to the boiling point 12 GROUP, a second contribution vector converted from the contribution of secondary GROUPs to the boiling point 1N The N contribution value vector is obtained by converting the contribution value of the N-level group to the boiling point, numh is the number of atoms except hydrogen atoms in a single molecule, d is a first preset constant, b is a second preset constant, and c is a third preset constant; and N is a positive integer greater than or equal to 2.
With reference to the eleventh embodiment of the first aspect, in the thirteenth embodiment of the first aspect,
the physical properties of the single molecule include: the density of the single molecule;
the physical property calculation model determines the density of the single molecule in the following manner:
converting according to the number of groups of each group forming the single molecule to obtain a single molecule vector;
converting the contribution value of each grade of group to the density to obtain a contribution value vector of the grade of group;
obtaining the products of the single molecular vectors and the contribution value vectors of all levels of radicals respectively, and then obtaining the sum of the products of the single molecular vectors and the corresponding products of all levels of radicals;
and obtaining the density of the single molecule according to the ratio of the product of the single molecule vector and the contribution value vector of the first-level group in the sum of the single molecule vector and the products corresponding to the groups at each level.
For example, the physical property calculation model is as follows:
wherein D is the density of the single molecule, SOL is the single molecule vector, GROUP, converted from the number of GROUPs of each GROUP constituting the single molecule 21 GROUP is the vector of N +1 contribution converted from the contribution of the primary GROUP to the density 22 GROUP is the vector of N +2 contribution converted from the contribution of secondary GROUPs to the density 2N The vector of the 2N contribution value is obtained by converting the contribution value of the N-grade group to the density, and e is a fourth preset constant; and N is a positive integer greater than or equal to 2.
In combination with the eleventh embodiment of the first aspect, in the fourteenth embodiment of the first aspect,
the physical properties of the single molecule include: the octane number of a single molecule;
converting according to the number of groups of each group forming the single molecule to obtain a single molecule vector;
converting the contribution value of each grade of group to the octane number to obtain a contribution value vector of the grade of group;
obtaining the product of the single molecular vector and the contribution value vector of each level of group;
and obtaining the octane number of the single molecule according to the sum of the products of the single molecule vector and the corresponding radicals of each level. For example, the physical property calculation model is as follows:
X＝SOL×GROUP 31 +SOL×GROUP 32 +......+SOL×GROUP 3N +h；
wherein X is the octane number of the said single molecule, SOL is the single molecule vector, GROUP, converted from the number of GROUPs of each GROUP constituting the said single molecule 31 Is the 2N +1 contribution vector converted from the contribution of the primary GROUP to the octane number, GROUP 32 Is the 2N +2 contribution vector, GROUP, converted from the contribution of the secondary GROUP to the octane number 3N The 3N contribution value vector is obtained by converting the contribution value of the N-grade group to the octane number; n is a positive integer greater than or equal to 2; h is a fifth predetermined constant.
With reference to the fourth embodiment of the first aspect, in a fifteenth embodiment of the first aspect,
the physical properties of the blended gasoline product include: research octane number, motor octane number, reid vapor pressure, engler range, density, benzene volume fraction, aromatics volume fraction, olefins volume fraction, oxygen mass fraction, and sulfur mass fraction.
With reference to the fifteenth embodiment of the first aspect, in the sixteenth embodiment of the first aspect, the calculating physical properties of each set of blended gasoline products based on the physical properties of each single molecule and the second component content of each set of blended gasoline products comprises:
the density of the blended gasoline product was calculated by the following method:
the density of the blended gasoline product is taken as the sum of the product of the density of each of the said single molecules and the content of the second component of that single molecule.
For example, the density of the blended gasoline product is calculated by the following calculation formula:
density＝∑(D i ×x i-volume )；
wherein density is the density of the blended gasoline product, D i Density, x, of the ith said single molecule i-volume Is the second component content of the ith said single molecule.
In combination with the fifteenth embodiment of the first aspect, in the seventeenth embodiment of the first aspect, the calculating physical properties of each set of blended gasoline products as a function of the physical properties of each single molecule and the second component content in each set of blended gasoline products comprises:
calculating a cloud point contribution value for each of said single molecules based on the density and boiling point of each of said single molecules;
calculating the cloud point of the blended gasoline product based on the cloud point contribution values and the second component content of all of the single molecules in the blended gasoline product.
With reference to the fifteenth embodiment of the first aspect, in the eighteenth embodiment of the first aspect, the calculating physical properties of each set of blended gasoline products based on the physical properties of each single molecule and the second component content of each set of blended gasoline products comprises:
calculating a pour point contribution value for each of the single molecules based on the density and molecular weight of each of the single molecules;
calculating the pour point of the blended gasoline product based on the pour point contribution values and the second component content of all of the single molecules in the blended gasoline product.
In combination with the fifteenth embodiment of the first aspect, in the nineteenth embodiment of the first aspect, the calculating physical properties of each set of blended gasoline products based on the physical properties of each single molecule and the second component content of each set of blended gasoline products comprises:
calculating the aniline point contribution value of the single molecule according to the density and the boiling point of the single molecule;
and calculating the aniline point of the mixed gasoline product according to the aniline point contribution values of all the single molecules in the mixed gasoline product and the content of the second component.
With reference to the fifteenth embodiment of the first aspect, in the twentieth embodiment of the first aspect, the calculating physical properties of each set of blended gasoline products as a function of the physical properties of each single molecule and the second component content of each set of blended gasoline products comprises:
the octane number of the blended gasoline product is calculated by the following calculation formula:
wherein ON is the octane number of the mixed gasoline product, HISQFG is a molecular set, H is a molecular set of normal paraffin, I is a molecular set of isoparaffin, S is a molecular set of cycloparaffin, Q is a molecular set of olefin, F is a molecular set of aromatic hydrocarbon, G is a molecular set of oxygen-containing compound, and upsilon is i Is the content of each molecule in the blended gasoline product; upsilon is H 、υ I 、υ S 、υ Q 、υ F 、υ G Respectively the total content of normal paraffin and the total content of isoparaffin in the mixed gasoline productAmount, total content of naphthenes, total content of olefins, total content of aromatics and total content of oxygenates; beta is a i A regression parameter for each molecule in the blended gasoline product; ON i An octane number for each molecule in the blended gasoline product; c H Representing the interaction coefficient of the normal alkane with other molecules; c I Representing the interaction coefficient of the isoparaffin with other molecules; c S Representing the coefficient of interaction of cycloalkanes with other molecules; c Q Representing the coefficient of interaction of the olefin with other molecules; c F Representing the interaction coefficient of the aromatic hydrocarbon with other molecules; c G Representing the interaction coefficient of the oxygen-containing compound and other molecules;
a first constant coefficient between the normal paraffin and the isoparaffin,
A first constant coefficient between n-alkane and cycloalkane,
A first constant coefficient between the normal paraffin and the olefin,
A first constant coefficient between n-alkane and aromatic hydrocarbon,
A first constant coefficient between the normal alkane and the oxygen-containing compound,
A first constant coefficient between isoparaffin and cycloalkane,
A first constant coefficient between the isoparaffin and the olefin,
A first constant coefficient between isoparaffin and aromatic hydrocarbon,
A first constant coefficient between the isoparaffin and the oxygen-containing compound,
A first constant coefficient between a cycloalkane and an olefin,
A first constant coefficient between a cycloalkane and an aromatic hydrocarbon,
A first constant coefficient representing the ratio between the cycloalkane and the oxygen-containing compound,
A first constant coefficient between olefin and aromatic hydrocarbon,
A first constant coefficient between the olefin and the oxygen-containing compound,
A first constant coefficient between the aromatic hydrocarbon and the oxygen-containing compound,
A second constant coefficient between the normal paraffin and the isoparaffin,
A second constant coefficient between the normal paraffin and the cycloalkane,
Representing a second constant coefficient between the normal alkane and the alkene、
A second constant coefficient between the normal paraffin and the aromatic hydrocarbon,
A second constant coefficient between the normal alkane and the oxygen-containing compound,
A second constant coefficient between isoparaffin and cycloalkane,
A second constant coefficient between the isoparaffin and the olefin,
A second constant coefficient between isoparaffin and aromatic hydrocarbon,
A second constant coefficient between the isoparaffin and the oxygen-containing compound,
A second constant coefficient between cycloalkane and olefin,
A second constant coefficient between the cycloalkane and the aromatic hydrocarbon,
A second constant coefficient representing the ratio between the cycloalkane and the oxygen-containing compound,
A second constant coefficient between olefin and aromatic hydrocarbon,
A second constant coefficient between the olefin and the oxygen-containing compound,
Represents a second constant coefficient between the aromatic hydrocarbon and the oxygen-containing compound; wherein the octane number comprises: research octane number and motor octane number.
In a twenty-first embodiment of the first aspect, with reference to the first aspect or the first, second, third, fourth, fifth, sixth, seventh, eighth, ninth, tenth, eleventh, twelfth, thirteenth, fourteenth, fifteenth, sixteenth, seventeenth, eighteenth, nineteenth, twentieth embodiment of the first aspect, the calculating a cumulative benefit for all of the blended gasoline products comprises:
calculating the product benefit of each group of mixed gasoline products according to the yield of each group of mixed gasoline products and the product price of each group of mixed gasoline products;
accumulating the product benefits of each group of mixed gasoline products to obtain a first benefit;
obtaining the raw material price of each group of the gasoline blending raw materials;
subtracting the feed price of all of the gasoline blend stocks of each group from the first benefit to obtain the cumulative benefit.
With reference to the first aspect or the first, second, third, fourth, fifth, sixth, seventh, eighth, ninth, tenth, eleventh, twelfth, thirteenth, fourteenth, fifteenth, sixteenth, seventeenth, eighteenth, nineteenth, twentieth, twenty-first embodiments of the first aspect, in a twenty-second embodiment of the first aspect, a gasoline blending method comprises:
obtaining standards of vehicle oil products with different brands;
and taking the standard of each brand of vehicle oil product as a preset standard to form the preset standard set.
In a second aspect, embodiments of the present invention provide a gasoline blending system, the system comprising:
the simulation blending unit is used for blending each group of gasoline blending raw materials according to a preset rule set to obtain a plurality of groups of mixed gasoline products;
the first processing unit is used for respectively calculating the gasoline physical properties of each group of mixed gasoline products and judging whether the gasoline physical properties of each group of mixed gasoline products meet any preset standard in a preset standard set;
the second processing unit is used for calculating the accumulated benefit of all the mixed gasoline products and judging whether the accumulated benefit reaches the maximum value or not if the gasoline physical property of each group of the mixed gasoline products meets any preset standard in a preset standard set;
the third processing unit is used for taking the preset rule set as an optimal blending proportion if the accumulated benefit reaches the maximum value; and if the cumulative benefit does not reach the maximum value, adjusting the preset rules in the preset rule set, blending the gasoline blending raw materials according to the adjusted preset rule set, and obtaining multiple groups of mixed gasoline products again until the gasoline physical properties of each group of mixed gasoline products meet any preset standard in the preset standard set, and the cumulative benefit of all the mixed gasoline products reaches the maximum value.
In combination with the second aspect, in a first embodiment of the second aspect, the system further includes: the fourth processing unit is used for acquiring the proportion value of the yield of the target product in all the mixed gasoline products; judging whether the ratio value accords with a preset ratio value interval or not; if the ratio accords with the preset ratio range, executing the step of calculating the cumulative benefit of all the mixed gasoline products; if the ratio does not accord with the preset ratio interval, adjusting the preset rules in the preset rule set, blending each gasoline blending raw material according to the adjusted preset rule set, and obtaining multiple groups of mixed gasoline products again until the ratio accords with the preset ratio interval.
In combination with the second aspect, in a second embodiment of the second aspect, the system further includes: a fifth processing unit for obtaining a consumption of each group of the gasoline blend stocks; determining the consumption of the target gasoline blend stock according to the consumption of each group of the gasoline blend stocks; judging whether the consumption of the target gasoline blending raw material accords with a preset consumption interval or not; if the consumption of the target gasoline blending raw material accords with a preset consumption interval, executing the step of calculating the cumulative benefits of all the mixed gasoline products; and if the consumption of the target gasoline blending raw material does not accord with a preset consumption interval, adjusting preset rules in the preset rule set, blending each gasoline blending raw material according to the adjusted preset rule set, and obtaining multiple groups of mixed gasoline products again until the consumption of the target gasoline blending raw material accords with the preset consumption interval.
In a third embodiment of the second aspect, in combination with the second aspect, the system further comprises: and the sixth processing unit is used for adjusting the preset rules in the preset rule set if the gasoline physical properties of any group of mixed gasoline products do not accord with any preset standard in the preset standard set, blending all the gasoline blending raw materials according to the adjusted preset rule set, and obtaining multiple groups of mixed gasoline products again until the gasoline physical properties of each group of mixed gasoline products accord with any preset standard in the preset standard set.
With reference to the second aspect, in a fourth embodiment of the second aspect, the first treatment unit is specifically configured to obtain a first molecular composition and a first component content per single molecule for each group of the gasoline blend stock; obtaining a second molecular composition of each group of mixed gasoline products and a second component content of each single molecule according to the first molecular composition of each group of the gasoline blending stock and the first component content of each single molecule according to the preset rule set; calculating physical properties of each single molecule based on the number of groups of each group contained in each single molecule of each group of the blended gasoline product and the contribution value of each group to the physical properties; and calculating the physical properties of each group of mixed gasoline products according to the physical properties of each single molecule and the content of the second component in each group of mixed gasoline products.
In a third aspect, an embodiment of the present invention provides a gasoline blending device, including a processor, a communication interface, a memory, and a communication bus, where the processor and the communication interface are used to complete communication between the processor and the memory through the communication bus;
a memory for storing a computer program;
and the processor is used for realizing the gasoline blending method in any embodiment of the first aspect when executing the program stored in the memory.
In a fourth aspect, embodiments of the present invention provide a computer-readable storage medium storing one or more programs, the one or more programs being executable by one or more processors to implement the gasoline blending method of any of the first aspects.
Compared with the prior art, the technical scheme of the invention has the following advantages: the embodiment of the invention blends the gasoline blending raw materials according to the preset rule set to obtain a plurality of groups of mixed gasoline products, and blends the gasoline blending raw materials according to the adjusted preset rule set when the gasoline physical property of any mixed gasoline product does not meet any preset standard or the accumulated benefit of the mixed gasoline product does not reach the maximum value, and obtains the mixed gasoline product again until the gasoline physical property of all the mixed gasoline products meets any preset standard in the preset standard set and the accumulated benefit of all the mixed gasoline products reaches the maximum value.
Drawings
FIG. 1 is a schematic flow chart of a gasoline blending method according to an embodiment of the present invention.
FIG. 2 is a schematic flow diagram of a gasoline blending process according to another embodiment of the present invention.
Fig. 3 is a schematic flow chart of a gasoline blending method according to another embodiment of the present invention.
FIG. 4 is a schematic flow chart of a gasoline blending method according to another embodiment of the present invention.
FIG. 5 is a schematic flow chart of a gasoline blending method according to another embodiment of the present invention.
Fig. 6 is a fourth schematic flow chart of a gasoline blending method according to another embodiment of the present invention.
Fig. 7 is a schematic flow chart of a gasoline blending method according to another embodiment of the present invention.
Fig. 8 is a schematic diagram of a gasoline blending system according to another embodiment of the present invention.
Fig. 9 is a schematic diagram of a gasoline blending apparatus according to yet another embodiment of the present invention.
Fig. 10 is a schematic diagram of a gasoline blending apparatus according to another embodiment of the present invention.
Detailed Description
In order to make the objects, technical solutions and advantages of the embodiments of the present invention clearer, the technical solutions in the embodiments of the present invention will be clearly and completely described below with reference to the drawings in the embodiments of the present invention, and it is obvious that the described embodiments are some, but not all, embodiments of the present invention. All other embodiments, which can be obtained by a person skilled in the art without any inventive step based on the embodiments of the present invention, are within the scope of the present invention.
As shown in fig. 1, a gasoline blending method according to an embodiment of the present invention is provided. Referring to fig. 1, the blending method includes:
s11, blending the gasoline blending raw materials of each group according to a preset rule set to obtain a plurality of groups of mixed gasoline products.
In this embodiment, in the gasoline blending process, the raw material for gasoline blending may be naphtha or other light gasoline fractions in the product distilled by the atmospheric and vacuum distillation unit, or may be a product output by the catalytic reforming unit, or a product output after catalytic hydrofining or catalytic hydro-upgrading, or a product obtained after crude oil or other oil products are processed for many times by other petroleum processing units. The gasoline blended by more than two components is called blended gasoline, and the gasoline blending enables the finally produced gasoline product to meet the national standard, such as the standards of automobile oil products with different brands. The preset rule set stores a plurality of groups of preset rules, each group of rules corresponds to the type and the number of the used gasoline blending raw materials, and corresponding mixed gasoline products are obtained by mixing different gasoline blending raw materials.
And S12, respectively calculating the gasoline physical properties of each group of mixed gasoline products, and judging whether the gasoline physical properties of each group of mixed gasoline products meet any preset standard in a preset standard set.
In this embodiment, the gasoline physical properties of each group of the mixed gasoline products are calculated respectively, and the physical properties of the blended gasoline product can be obtained by determining various single molecules contained in each group of the mixed gasoline products, i.e. determining the molecular composition of the mixed gasoline products, calculating the physical properties of each single molecule in the mixed gasoline products respectively, and calculating according to the physical properties and the content of each single molecule in the mixed gasoline. The physical properties of the single molecule include, but are not limited to: density, boiling point, density, octane number. For example: the physical properties of the single molecule may further include: viscosity, solubility parameter, cetane number, unsaturation, and the like.
In this embodiment, the preset standard in the preset standard set may be a standard of gasoline products such as a standard of motor gasoline, a standard of lubricating oil, a standard of hydraulic oil, a standard of gear oil, and a standard of cutting oil, and as long as the blended mixed gasoline product meets any one of the preset standard set, it is indicated that the mixed gasoline product can be sold, and meanwhile, since different mixed gasoline products are blended simultaneously, the mixed gasoline products obtained by blending simultaneously should meet any one of the preset standard set, so that the preset rule set for blending is a qualified set, and a situation that the mixed gasoline product cannot generate value is avoided.
The method for establishing the preset standard set may include the following steps: obtaining standards of vehicle oil products with different brands; and taking the standard of each brand of vehicle oil product as a preset standard to form a preset standard set. The preset standard set is formed by acquiring the standards of the automobile oil products with different brands, so that the blended mixed gasoline products are all automobile oil products.
And S13, if the gasoline physical property of each group of mixed gasoline products meets any one preset standard in the preset standard set, calculating the accumulated benefit of all the mixed gasoline products, and judging whether the accumulated benefit reaches the maximum value.
In this embodiment, when the gasoline physical properties of each group of mixed gasoline products all meet any one of the preset standards in the preset standard set, it is indicated that the mixed gasoline products blended according to the preset rule set meet the standards, in this step, the cumulative benefit of all the mixed gasoline products is calculated, and whether the cumulative benefit reaches the maximum value is judged through a global optimization algorithm of multi-start random search.
As shown in fig. 2, wherein calculating the cumulative benefit of all blended gasoline products comprises the steps of:
and S21, calculating the product benefit of each group of mixed gasoline products according to the yield of each group of mixed gasoline products and the product price of each group of mixed gasoline products.
And S22, accumulating the product benefits of each group of mixed gasoline products to obtain a first benefit.
And S23, obtaining the raw material price of each group of gasoline blending raw materials.
And S24, subtracting the price of the raw materials of all the gasoline blending raw materials from the first benefit to obtain the cumulative benefit.
In this embodiment, the cumulative benefit that can be generated by the mixed gasoline product is determined according to the product benefit of the mixed gasoline product, the operation cost of each process, and the raw material price of the gasoline blending stock, whether the cumulative benefit reaches the maximum value is determined based on the optimization algorithm, and when the cumulative benefit also reaches the maximum value, blending of the mixed gasoline product is completed.
And S14a, if the accumulated benefit reaches the maximum value, taking a preset rule set as an optimal blending proportion.
In this embodiment, when the cumulative benefit reaches the maximum value, it indicates that the economic benefit of the mixed gasoline product obtained by blending the gasoline blending raw material with the preset rule set in the above steps is the highest, at this time, the preset rule set is used as the optimal blending proportion, and when gasoline blending is subsequently performed, gasoline blending is performed with the preset rule set, so that the mixed gasoline product with the highest benefit can be obtained.
And S14b, if the cumulative benefit does not reach the maximum value, adjusting the preset rules in the preset rule set, blending all gasoline blending raw materials according to the adjusted preset rule set, and obtaining multiple groups of mixed gasoline products again until the gasoline physical properties of each group of mixed gasoline products meet any preset standard in the preset standard set and the cumulative benefit of all mixed gasoline products reaches the maximum value.
In this embodiment, when the cumulative benefit does not reach the maximum value, it is indicated that the preset rule in the preset rule set is not the optimal preset rule set, at this time, the preset rule in the preset rule set is adjusted, and the re-blending is performed according to the preset rule set, so as to obtain the mixed gasoline product, until the gasoline physical properties of the mixed gasoline product meet the requirements, and the cumulative benefit of the mixed gasoline product reaches the maximum value. Adjusting the preset rules in the set of preset rules may be adjusting the type and quantity of gasoline blend stocks set in each set of rules.
In this embodiment, the blending method further includes the following steps:
and if the gasoline physical properties of any group of mixed gasoline products do not accord with any preset standard in the preset standard set, adjusting the preset rules in the preset rule set, blending all gasoline blending raw materials according to the adjusted preset rule set, and obtaining multiple groups of mixed gasoline products again until the gasoline physical properties of each group of mixed gasoline products accord with any preset standard in the preset standard set.
If the gasoline physical properties of any group of mixed gasoline products do not meet any preset standard in the preset standard set, the situation that the mixed gasoline products cannot be sold as products is shown, so in the step, the preset rules in the preset rule set are adjusted, and the mixed gasoline products are obtained by re-blending according to the preset rule set until the gasoline physical properties of the mixed gasoline products meet the requirements. Adjusting the preset rules in the preset rule set may be adjusting the type and quantity of gasoline blend stocks set in each set of rules.
In one particular embodiment, as shown in FIG. 3, prior to calculating the cumulative benefit of all blended gasoline products, the blending method further comprises the steps of:
s31, obtaining the proportion value of the yield of the target product in all mixed gasoline products;
s32, judging whether the ratio accords with a preset ratio interval;
s33a, if the proportion value accords with a preset proportion value interval, executing a step of calculating the cumulative benefit of all the mixed gasoline products;
and S33b, if the proportion value does not accord with the preset proportion value interval, adjusting the preset rules in the preset rule set, blending all gasoline blending raw materials according to the adjusted preset rule set, and obtaining multiple groups of mixed gasoline products again until the proportion value accords with the preset proportion value interval.
Adjusting the preset rules in the preset rule set may be adjusting the type and quantity of gasoline blend stocks set in each set of rules.
And if the ratio value accords with the preset ratio value interval, calculating the cumulative benefit of all the mixed gasoline products. The proportion of the target product in all the mixed gasoline products meets the requirement, for example, the sulfur content in the mixed gasoline products meets the preset proportion, so as to avoid the environment pollution caused by the combustion of sulfur, for example, the amount of isooctane in the mixed gasoline meets the preset proportion, and as the antiknock property of isooctane is optimal and the amount of a certain gasoline blending raw material is too much, the usage amount of a certain gasoline blending raw material in the mixed gasoline products is expected to reach a certain proportion, and the gasoline blending raw material can also be set as the target product.
In one particular embodiment, as shown in FIG. 4, the blending method further comprises the following steps before calculating the cumulative benefit of all the blended gasoline products:
and S41, acquiring the consumption of each group of gasoline blending raw materials.
In this embodiment, the amount of each gasoline blend stock consumed is calculated based on the type and quantity of gasoline blend stock set for each set of preset rules in the set of preset rules.
And S42, confirming the consumption of the target gasoline blend stock according to the consumption of each group of gasoline blend stocks.
In this embodiment, the consumption of the target gasoline blending material is determined, where the target gasoline blending material may be a gasoline blending material with a large stock or a gasoline blending material with a small stock, and when the stock of the gasoline blending material is large, in order to avoid stock backlog, no other oil product is blended with the gasoline blending material, and the gasoline blending material may not be directly marketed without blending, so that the gasoline blending material with a large stock occupies a stock room, the usage amount of the gasoline blending material with a large stock can be increased, so as to ensure the quantity balance of oil products in the stock room, and improve the sustainable production capability.
S43, judging whether the consumption of the target gasoline blending raw material accords with a preset consumption interval.
In this embodiment, a consumption interval of the target gasoline blend stock is set as the preset consumption interval, which may be determined according to the initial amount of the target gasoline blend stock, and when the stock of the target gasoline blend stock is large, the consumption interval is appropriately increased, and when the stock of the target gasoline blend stock is small, the consumption interval may be decreased, so as to reduce the consumption of the target gasoline blend stock, and ensure the diversity of gasoline blend stocks, so as to adapt to blending of different gasoline blend stocks.
And S44, if the consumption of the target gasoline blending raw material does not accord with the preset consumption interval, adjusting the preset rules in the preset rule set, blending each gasoline blending raw material according to the adjusted preset rule set, and obtaining multiple groups of mixed gasoline products again until the consumption of the target gasoline blending raw material accords with the preset consumption interval.
Adjusting the preset rules in the set of preset rules may be adjusting the type and quantity of gasoline blend stocks set in each set of rules.
If the consumption of the target gasoline blending raw material accords with a preset consumption interval, executing a step of calculating the cumulative benefits of all mixed gasoline products; at this time, the consumption of the target gasoline blending material meets a preset consumption interval, for example, the consumption of the light gasoline blending material should be low, because the proportion of the light gasoline blending material obtained by directly separating the crude oil is low, and then an oil product with a large molecular weight is subjected to secondary processing to obtain a part of the light gasoline blending material, and the light gasoline blending material can be blended only by adding a heavy molecular oil product, in this embodiment, the consumption of the light gasoline blending material can be limited, and the consumption of other heavy molecular gasoline blending materials can be ensured.
The steps for calculating the gasoline physical properties of each set of blended gasoline products are described further below. Fig. 5 is a flowchart illustrating steps for calculating gasoline physical properties of a blended gasoline product according to an embodiment of the present invention.
And S51, obtaining the first molecular composition of each group of gasoline blending stock and the first component content of each single molecule.
In this example, the molecular composition of the feedstock can be determined by one or more of comprehensive two-dimensional gas chromatography, quadrupole gas chromatography-mass spectrometer detection, gas chromatography/field ionization-time-of-flight mass spectrometry detection, gas chromatography, near infrared spectroscopy, nuclear magnetic resonance spectroscopy, raman spectroscopy, fourier transform ion cyclotron resonance mass spectrometry, electrostatic field orbitrap mass spectrometry, and ion mobility mass spectrometry. Of course, the molecular composition of the mixture can also be determined in other ways, for example: the molecular composition of the mixture is determined by means of ASTM D2425, SH/T0606 and/or ASTM D8144-18.
And S52, according to a preset rule set, obtaining a second molecular composition of each group of mixed gasoline products and a second component content of each single molecule according to the first molecular composition of each group of gasoline blending raw materials and the first component content of each single molecule.
In this embodiment, the type and amount of the gasoline blend stock required are set in the preset rules in the preset rule set, and the first molecular composition of each group of gasoline blend stock and the first component content of each single molecule are combined to obtain the second molecular composition of each group of mixed gasoline products and the second component content of each single molecule.
And S53, calculating the physical property of each single molecule according to the number of groups of each group contained in each single molecule of each group of mixed gasoline products and the contribution value of each group to the physical property.
In this example, for each kind of single molecule, the number of groups of each kind of group constituting the single molecule and the contribution value of each kind of group to the physical property were obtained; the number of groups of each group constituting a single molecule and the contribution value of each group to the physical property are input to a physical property calculation model trained in advance, and the physical property of the single molecule output by the physical property calculation model is acquired.
And S54, calculating the physical property of each group of mixed gasoline products according to the physical property of each single molecule and the content of the second component in each group of mixed gasoline products.
Physical properties of the blended gasoline product include: research octane number, motor octane number, reid vapor pressure, engler range, density, benzene volume fraction, aromatics volume fraction, olefins volume fraction, oxygen mass fraction, and sulfur mass fraction.
Five ways to calculate the physical properties of the mixture are provided below, but those skilled in the art will appreciate that the following ways are only illustrative of the present embodiment and are not intended to limit the present embodiment.
In the first embodiment, when the physical property of the mixture is density, the density of the mixture is calculated by the following calculation formula:
density＝∑(D i ×x i-volume )；
wherein density is the density of the mixture, D i Density of the i-th single molecule, x i-volume The content of the i-th single molecule.
In a second aspect, calculating the physical property of the mixture when the physical property of the mixture is the cloud point comprises:
calculating the cloud point contribution value of each single molecule according to the density and the boiling point of each single molecule;
the cloud point of the mixture is calculated based on the cloud point contributions and the amount of all the single molecules in the mixture.
In a third aspect, when the physical property of the mixture is pour point, calculating the physical property of the mixture comprises:
calculating a pour point contribution for each single molecule based on the density and molecular weight of each single molecule;
the pour point of the mixture is calculated based on the pour point contribution and the amount of all the single molecules in the mixture.
In a fourth aspect, when the physical property of the mixture is the aniline point, the physical property of the mixture is calculated to include:
calculating the aniline point contribution value of the single molecule according to the density and the boiling point of the single molecule;
the aniline point of the mixture is calculated from the aniline point contributions and the amounts of all the single molecules in the mixture.
In a fifth mode, when the physical property of the mixture is octane number, the calculation method includes:
obtaining the octane number and the content of each single molecule in the mixture;
the octane number of the mixture is calculated by the following calculation formula:
wherein ON is the octane number of the mixed gasoline product, HISQFG is a molecular set, H is a molecular set of normal paraffin, I is a molecular set of isoparaffin, S is a molecular set of cycloparaffin, Q is a molecular set of olefin, F is a molecular set of aromatic hydrocarbon, G is a molecular set of oxygen-containing compound, and upsilon is i Is the content of each molecule in the blended gasoline product; upsilon is H 、υ I 、υ S 、υ Q 、υ F 、υ G Respectively representing the total content of normal paraffin, the total content of isoparaffin, the total content of cycloparaffin and the total content of cycloparaffin in the mixed gasoline product,The total content of olefin, the total content of aromatic hydrocarbon and the total content of oxygen-containing compound; beta is a i A regression parameter for each molecule in the blended gasoline product; ON i An octane number for each molecule in the blended gasoline product; c H Represents the interaction coefficient of the normal alkane with other molecules; c I Representing the interaction coefficient of the isoparaffin with other molecules; c S Representing the coefficient of interaction of cycloalkanes with other molecules; c Q Representing the coefficient of interaction of the olefin with other molecules; c F Representing the interaction coefficient of the aromatic hydrocarbon with other molecules; c G Representing the interaction coefficient of the oxygen-containing compound and other molecules;
a first constant coefficient between the normal paraffin and the isoparaffin,
A first constant coefficient between n-alkane and cycloalkane,
A first constant coefficient between the normal paraffin and the olefin,
A first constant coefficient between n-alkane and aromatic hydrocarbon,
A first constant coefficient between the normal alkane and the oxygen-containing compound,
A first constant coefficient between isoparaffin and cycloalkane,
A first constant coefficient between the isoparaffin and the olefin,
A first constant coefficient between isoparaffin and aromatic hydrocarbon,
A first constant coefficient between the isoparaffin and the oxygen-containing compound,
A first constant coefficient between a cycloalkane and an olefin,
A first constant coefficient between a cycloalkane and an aromatic hydrocarbon,
A first constant coefficient representing the ratio between the cycloalkane and the oxygen-containing compound,
A first constant coefficient between olefin and aromatic hydrocarbon,
A first constant coefficient between the olefin and the oxygen-containing compound,
A first constant coefficient between the aromatic hydrocarbon and the oxygen-containing compound,
A second constant coefficient between the normal paraffin and the isoparaffin,
A second constant coefficient between n-alkane and cycloalkane,
A second constant coefficient between the normal paraffin and the olefin,
A second constant coefficient between the normal paraffin and the aromatic hydrocarbon,
A second constant coefficient between the normal alkane and the oxygen-containing compound,
A second constant coefficient between isoparaffin and cycloalkane,
A second constant coefficient between the isoparaffin and the olefin,
A second constant coefficient between isoparaffin and aromatic hydrocarbon,
A second constant coefficient between the isoparaffin and the oxygen-containing compound,
A second constant coefficient between cycloalkane and olefin,
A second constant coefficient between the cycloalkane and the aromatic hydrocarbon,
A second constant coefficient representing the ratio between the cycloalkane and the oxygen-containing compound,
A second constant coefficient between olefin and aromatic hydrocarbon,
Between an olefin and an oxygenateSecond constant coefficient of (d),
Represents a second constant coefficient between the aromatic hydrocarbon and the oxygen-containing compound; wherein the octane number comprises: research octane number and motor octane number.
In this example, the step of calculating the physical properties of each single molecule includes:
for each single molecule, acquiring the number of groups of each group constituting the single molecule and acquiring the contribution value of each group to physical properties; inputting the number of groups of each group constituting a single molecule and the contribution value of each group to the physical property into a physical property calculation model trained in advance, and acquiring the physical property of the single molecule output by the physical property calculation model.
The procedure for training the physical property calculation model will be further described below.
As shown in fig. 6, the process flow of the steps of training the property calculation model includes:
and S61, constructing a monomolecular physical property calculation model.
In the present embodiment, the physical property calculation model includes: contribution of each group to physical properties. The contribution value is an adjustable value, and the contribution value is an initial value when training for the first time. Further, the physical property calculation model includes: contribution of each group to each physical property.
S62, acquiring the number of groups of each group forming a single molecule of the sample; the physical properties of the sample single molecules are known.
In the present embodiment, a training sample set is set in advance. A plurality of sample single molecule information is included in the training sample set. Sample single molecule information including, but not limited to: the number of groups of each group constituting a single molecule of the sample, and the physical properties of the single molecule of the sample.
And S63, inputting the number of groups of each group contained in a single molecule of the sample into a physical property calculation model.
And S64, acquiring the predicted physical property of the sample single molecule output by the physical property calculation model.
And S65a, if the deviation value between the predicted physical property and the known physical property is smaller than a preset deviation threshold value, judging that the physical property calculation model converges, acquiring a contribution value corresponding to each group in the converged physical property calculation model, and storing the contribution value as the contribution value of the group to the physical property.
Since there may be a plurality of types of physical properties of a single molecule, the contribution value of each group to each physical property can be obtained in a converged physical property calculation model.
For each group, storing the contribution value of the group to each physical property, so that when the physical property of a single molecule is calculated later, the contribution value of each group in the single molecule to the physical property to be known can be obtained, and the number of groups of each group in the single molecule and the contribution value of each group to the physical property to be known are used as the input of a physical property calculation model, the physical property calculation model uses the number of groups of each group in the single molecule as a model variable, and uses the contribution value of each group to the physical property to be known as a model parameter (replacing the adjustable contribution value of each group in the physical property calculation model to the physical property), and the physical property to be known is calculated.
And S65b, if the deviation value between the predicted physical property and the known physical property is larger than or equal to the deviation threshold value, adjusting the contribution value corresponding to each group in the physical property calculation model until the physical property calculation model converges.
In this embodiment, if there are a plurality of physical properties of a single sample molecule, then there are a plurality of predicted physical properties of the single sample molecule output by the physical property calculation model, and at this time, a deviation value between each predicted physical property and the corresponding known physical property is calculated, and it is determined whether or not the deviation value between each predicted physical property and the corresponding known physical property is smaller than a preset deviation value, and if so, it is determined that the physical property calculation model converges, and the contribution value of each group to the corresponding physical property can be obtained from the converged physical property calculation model.
Two types of physical property calculation models that can be used for different physical properties are given below. It should be understood by those skilled in the art that the following two physical property calculation models are only illustrative of the present embodiment and are not intended to limit the present embodiment.
Model one: a physical property calculation model shown below was established:
wherein f is a monomolecular physical property, and n i Number of groups of i-th group,. DELTA.f i The contribution value of the i-th group to the physical property, and a is a correlation constant.
For example: for boiling point, in the SOL-based molecular characterization method, 24 groups are all taken as primary groups; in the 24 groups, one or more of the groups such as N6, N5, N4, N3, me, AA, NN, RN, NO, RO, KO simultaneously contribute to a boiling point, and the groups do not have uniform contribution values to physical properties for different physical properties, but the contribution values of the same group to the same physical property are uniform in different molecules.
In this example, we can further classify groups constituting a single molecule into multi-stage groups. Further, primary groups and multi-order groups are determined among all groups of a single molecule; wherein all groups constituting a single molecule are taken as primary groups; by using a plurality of groups which exist simultaneously and contribute to the same physical property together as a multi-stage group and using the number of the plurality of groups as the level of the multi-stage group, we can use a plurality of groups which act on the same physical property together as the multi-stage group according to the simultaneous existence, specifically, for example, when N6 and N4 groups exist in different molecules independently, the physical property is influenced to a certain extent, and when the groups exist in one molecule simultaneously, the contribution value to the physical property fluctuates to a certain extent on the basis of the original contribution value to the physical property. The multi-stage groups can be divided according to the chemical bond force among the groups and preset bond force intervals, different influences can be caused by different chemical bond forces aiming at different physical properties, and the multi-stage groups can be divided according to the influence of molecular stability on the physical properties.
Model two: based on the divided multilevel groups, the following physical property calculation model can be established:
wherein f is a physical property of a single molecule, and m is 1i Is the number of groups of the i-th group in the primary group,. DELTA.f 1i M is the value of the contribution of the i-th group in the primary group to the physical properties 2j Number of groups of jth group in the secondary group,. DELTA.f 2j Is the contribution value of the jth group in the secondary group to the physical property; m is a unit of Nl Is the number of groups of the group I in the N-th group,. DELTA.f Nl Is the contribution value of the first group in the N-grade groups to physical properties; a is a correlation constant; n is a positive integer greater than or equal to 2.
In addition to the general-purpose property calculation model described above, a property calculation model may be constructed for each property according to the type of the property.
For example: the boiling point of the single molecule was calculated according to the following physical property calculation model:
wherein T is the boiling point of a single molecule, SOL is the monomolecular vector converted from the number of GROUPs of each GROUP constituting a single molecule, GROUP 11 GROUP, a first contribution vector derived from the conversion of the contribution of the primary GROUP to the boiling point 12 GROUP, a second contribution vector converted from the contribution of the secondary GROUP to the boiling point 1N The N contribution value vector is obtained by conversion according to the contribution value of the N-level group to the boiling point, numh is the number of atoms except hydrogen atoms in a single molecule, d is a first preset constant, b is a second preset constant, and c is a third preset constant; n is a positive integer greater than or equal to 2。
A monomolecular vector converted according to the number of groups of each group constituting a monomolecular, comprising: the number of kinds of all groups constituting a single molecule is taken as the dimension of a single molecule vector; the number of groups per group is taken as the elemental value for the corresponding dimension in the single molecular vector.
The first contribution value vector obtained by converting the contribution values of the primary groups of the single molecule to the boiling point respectively comprises: taking the number of the kinds of the primary groups as the dimension of the first contribution value vector; the contribution of each primary group to the boiling point is taken as the element value of the corresponding dimension in the first vector of contribution values. And a second contribution value vector obtained by converting the contribution values of each secondary group of the single molecule to the boiling point respectively comprises: taking the number of the kinds of the secondary groups as the dimension of the second contribution value vector; the contribution of each secondary group to the boiling point is taken as the element value of the corresponding dimension in the second contribution vector. By analogy, the Nth contribution value vector obtained by converting the contribution values of each N-grade group of the single molecule to the boiling point respectively comprises the following components: taking the number of the types of the N-grade groups as the dimensionality of the Nth contribution value vector; and taking the contribution value of each N-class group to the boiling point as the element value of the corresponding dimension in the Nth contribution value vector.
As another example, the density of a single molecule was calculated according to the following physical property calculation model:
wherein D is the density of a single molecule, SOL is a single molecular vector converted according to the number of GROUPs of each GROUP constituting a single molecule, GROUP 21 GROUP is the N +1 contribution vector converted from the contribution of the primary GROUP to density 22 GROUP, a vector of N +2 contribution values converted from the contribution values of the secondary GROUPs to the density 2N The vector of the 2N contribution value is obtained by converting the contribution value of the N-grade group to the density, and e is a fifth preset constant; n is a positive integer greater than or equal to 2.
A monomolecular vector converted according to the number of groups of each group constituting a monomolecular, comprising: the number of kinds of all groups constituting a single molecule is taken as the dimension of a single molecule vector; the number of groups per group is taken as the element value for the corresponding dimension in the single molecule vector.
The N +1 th contribution value vector obtained by converting the contribution values of the primary groups of the single molecule to the density respectively comprises the following components: taking the number of kinds of the primary groups as the dimensionality of the N +1 th contribution value vector; and taking the contribution value of each primary group to the density as the element value of the corresponding dimension in the N +1 th contribution value vector. The N +2 contribution value vector obtained by converting the contribution values of each secondary group of the single molecule to the density respectively comprises: taking the number of the kinds of the secondary groups as the dimensionality of the N +2 th contribution value vector; and taking the contribution value of each secondary group to the density as the element value of the corresponding dimension in the N +2 th contribution value vector. By analogy, the 2N contribution value vector obtained by converting the contribution values of each N-level group of a single molecule to the density respectively comprises: the number of species of the N-th order group is taken as the dimensionality of the 2N contribution vector; the contribution of each N-degree group to the density is taken as the element value of the corresponding dimension in the 2N-th contribution vector.
For example, the octane number of a single molecule is calculated from the following physical property calculation model:
X＝SOL×GROUP 31 +SOL×GROUP 32 +......+SOL×GROUP 3N +h；
wherein X is the octane number of a single molecule, SOL is a single molecular vector converted according to the number of GROUPs of each GROUP constituting a single molecule, GROUP 31 Is the 2N +1 contribution vector, GROUP, converted from the contribution of the primary GROUP to the octane number 32 Is the 2N +2 contribution vector converted from the contribution of the secondary GROUP to the octane number, GROUP 3N The 3N contribution value vector is obtained by converting the contribution value of the N-grade group to the octane number; n is a positive integer greater than or equal to 2; h is a fifth predetermined constant.
A monomolecular vector converted according to the number of groups of each group constituting a monomolecular, comprising: the number of kinds of all groups constituting a single molecule is taken as the dimension of a single molecule vector; the number of groups per group is taken as the elemental value for the corresponding dimension in the single molecular vector.
The 2N +1 contribution vector obtained by conversion according to the contribution of each primary group of a single molecule to the octane number respectively comprises the following components: the number of the kind of the primary group is taken as the dimension of the 2N +1 contribution value vector; the contribution of each primary group to the octane number is taken as the element value of the corresponding dimension in the 2N +1 th contribution vector. The 2N +2 contribution value vector obtained by conversion according to the contribution value of each secondary group of a single molecule to the octane number respectively comprises the following components: the number of kinds of secondary radicals is taken as the dimension of the 2Nth +2 contribution value vector; the contribution of each secondary group to the octane number is taken as the element value of the corresponding dimension in the 2N +2 contribution vector. By analogy, the 3N contribution value vector obtained by converting the contribution value of each N-grade group of a single molecule to the octane number respectively comprises the following steps: taking the number of the kinds of the N-th order groups as the dimensionality of the 3N contribution value vector; and taking the contribution value of each N-grade group to the octane number as the element value of the corresponding dimension in the 3 Nth contribution value vector.
And after the physical properties of the corresponding single molecule are calculated in the steps, the single molecule is used as a template single molecule, and the number of groups of each group forming the single molecule and the corresponding physical properties are stored in a database.
As shown in fig. 7, before the number of groups of each group constituting a single molecule and the contribution value of each group to the physical property are input to a physical property calculation model trained in advance, the calculation method further includes:
s71, comparing the number of groups of each group forming a single molecule with the molecular information of the template single molecule with known physical properties prestored in a database; the molecular information includes: number of groups of each type making up a single molecule of the template.
And S72, judging whether the template single molecule identical to the single molecule exists or not.
And S73, if the template single molecule same as the single molecule exists, outputting the physical property of the template single molecule as the physical property of the single molecule.
And S74, if the template single molecule identical to the single molecule does not exist, inputting the number of groups of each group constituting the single molecule and the contribution value of each group to the physical property into a physical property calculation model trained in advance.
According to the scheme, after the number of groups of each group forming a single molecule is obtained, whether the structure and physical properties of the single molecule are stored in a database is confirmed by comparing the corresponding number of groups, and after the template single molecule consistent with the single molecule is confirmed, the physical properties of the single molecule are directly output, so that the calculation efficiency of the physical properties of the single molecule is improved, and the calculated amount is reduced.
As shown in fig. 8, an embodiment of the present invention provides a gasoline blending system, the system comprising: a simulation blending unit 11, a first processing unit 12, a second processing unit 13, and a third processing unit 14.
In this embodiment, the simulation blending unit 11 is configured to blend each group of gasoline blending stocks according to a preset rule set to obtain a plurality of groups of mixed gasoline products.
In this embodiment, the first processing unit 12 is configured to calculate gasoline physical properties of each group of mixed gasoline products, and determine whether the gasoline physical properties of each group of mixed gasoline products meet any one of preset criteria in a preset criteria set.
In this embodiment, the second processing unit 13 is configured to calculate an accumulated benefit of all the blended gasoline products if the gasoline physical properties of each group of the blended gasoline products meet any one preset standard in a preset standard set, and determine whether the accumulated benefit reaches a maximum value.
In this embodiment, the third processing unit 14 is configured to, if the cumulative benefit reaches a maximum value, use the preset rule set as an optimal blending ratio; and if the cumulative benefit does not reach the maximum value, adjusting the preset rules in the preset rule set, blending the gasoline blending raw materials according to the adjusted preset rule set, and obtaining multiple groups of mixed gasoline products again until the gasoline physical properties of each group of mixed gasoline products meet any preset standard in the preset standard set, and the cumulative benefit of all the mixed gasoline products reaches the maximum value.
In this embodiment, the system further includes: the fourth processing unit is used for acquiring the proportion value of the yield of the target product in all the mixed gasoline products; judging whether the ratio value accords with a preset ratio value interval or not; if the ratio accords with the preset ratio interval, executing the step of calculating the cumulative benefits of all the mixed gasoline products; if the ratio does not accord with the preset ratio interval, adjusting the preset rules in the preset rule set, blending each gasoline blending raw material according to the adjusted preset rule set, and obtaining multiple groups of mixed gasoline products again until the ratio accords with the preset ratio interval.
In this embodiment, the system further includes: a fifth processing unit for obtaining a consumption of each group of the gasoline blend stock; determining the consumption of the target gasoline blend stock according to the consumption of each group of the gasoline blend stocks; judging whether the consumption of the target gasoline blending raw material accords with a preset consumption interval or not; if the consumption of the target gasoline blending raw material accords with a preset consumption interval, executing the step of calculating the cumulative benefits of all the mixed gasoline products; and if the consumption of the target gasoline blending raw material does not accord with the preset consumption interval, adjusting the preset rules in the preset rule set, blending each gasoline blending raw material according to the adjusted preset rule set, and obtaining multiple groups of mixed gasoline products again until the consumption of the target gasoline blending raw material accords with the preset consumption interval.
In this embodiment, the system further includes: and the sixth processing unit is used for adjusting the preset rules in the preset rule set if the gasoline physical properties of any group of the mixed gasoline products do not accord with any preset standard in the preset standard set, blending each gasoline blending raw material according to the adjusted preset rule set, and obtaining multiple groups of mixed gasoline products again until the gasoline physical properties of each group of the mixed gasoline products accord with any preset standard in the preset standard set.
In this embodiment, the first processing unit 12 is specifically configured to obtain a first molecular composition and a first component content per single molecule for each group of the gasoline blend stock; according to the preset rule set, obtaining a second molecular composition of each group of mixed gasoline products and a second component content of each single molecule according to the first molecular composition of each group of gasoline blending raw materials and the first component content of each single molecule; calculating physical properties of each single molecule based on the number of groups of each group contained in each single molecule of each group of the blended gasoline product and the contribution value of each group to the physical properties; and calculating the physical properties of each group of mixed gasoline products according to the physical properties of each single molecule and the content of the second component in each group of mixed gasoline products.
In this embodiment, the first processing unit 12 is specifically configured to obtain, for each kind of single molecule, the number of groups of each kind of group constituting the single molecule, and obtain a contribution value of each kind of group to the physical property; inputting the number of groups of each group constituting the single molecule and the contribution value of each group to the physical property into a physical property calculation model trained in advance, and acquiring the physical property of the single molecule output by the physical property calculation model.
In this embodiment, the blending system further includes: the monomolecular physical property template matching unit is used for comparing the group quantity of each group forming the monomolecular with the molecular information of the template monomolecular with known physical properties pre-stored in a database; the molecular information includes: the number of groups of each group constituting a single molecule of the template; determining whether the template single molecule identical to the single molecule is present; if the template single molecule identical to the single molecule exists, outputting the physical property of the template single molecule as the physical property of the single molecule; if the template single molecule identical to the single molecule does not exist, the first processing unit 12 performs the step of inputting the number of groups per group constituting the single molecule and the contribution value of each group to the physical property into a physical property calculation model trained in advance.
In this embodiment, the blending system further includes: the model training unit is used for constructing a single-molecule physical property calculation model; obtaining the number of groups of each group constituting a single molecule of a sample; the physical properties of the sample single molecules are known; inputting the number of groups of each group contained in a single molecule of the sample into the physical property calculation model; obtaining the predicted physical property of the sample single molecule output by the physical property calculation model; if the deviation value between the predicted physical property and the known physical property is smaller than a preset deviation threshold value, determining that the physical property calculation model converges, acquiring a contribution value corresponding to each group in the converged physical property calculation model, and storing the contribution value as the contribution value of the group to the physical property; if the deviation value between the predicted physical property and the known physical property is equal to or greater than the deviation threshold value, the contribution value corresponding to each group in the physical property calculation model is adjusted until the physical property calculation model converges.
In this embodiment, the model training unit is specifically configured to establish a physical property calculation model as follows:
wherein f is a physical property of the single molecule, and n is i Number of groups of i-th group,. DELTA.f i The contribution value of the i-th group to the physical property, and a is a correlation constant.
In this embodiment, the model training unit is specifically configured to determine a first-order group, the number of groups of the multi-order group, and the number of groups of the multi-order group in all groups of the sample single molecule; all groups constituting a single molecule are taken as primary groups; a plurality of groups which exist simultaneously and contribute to the common existence of the same physical property are used as a multi-stage group, and the number of the plurality of groups is used as the level of the multi-stage group.
In this embodiment, the model training unit is specifically configured to establish a physical property calculation model as follows:
wherein f is the physical property of the single molecule, and m is 1i Is the number of groups of the i-th group in the primary group,. DELTA.f 1i M is the value of the contribution of the i-th group in the primary group to the physical properties 2j Number of groups of jth group in the secondary group,. DELTA.f 2j Is the contribution value of the jth group in the secondary group to the physical property; m is Nl Is the number of groups of the group I in the N-th group,. DELTA.f Nl Is the contribution value of the first group in the N-grade groups to physical properties; a is a correlation constant; n is a positive integer greater than or equal to 2.
In this embodiment, the first processing unit 12 is specifically configured to determine a primary group, the number of groups of the multi-step group, and the number of groups of the multi-step group among all groups of the single molecule; all groups constituting a single molecule are taken as primary groups; a plurality of groups which exist simultaneously and contribute to the common existence of the same physical property are used as a multi-stage group, and the number of the plurality of groups is used as the level of the multi-stage group.
In this embodiment, the first processing unit 12 is specifically configured to determine the boiling point of the single molecule through a physical property calculation model in the following manner:
wherein T is the boiling point of the single molecule, SOL is the monomolecular vector converted according to the number of GROUPs of each GROUP constituting the single molecule, GROUP 11 GROUP, a first contribution vector converted from the contribution of the primary GROUP to the boiling point 12 GROUP, a second contribution vector converted from the contribution of the secondary GROUP to the boiling point 1N The N contribution value vector is obtained by converting the contribution value of the N-level group to the boiling point, numh is the number of atoms except hydrogen atoms in a single molecule, d is a first preset constant, b is a second preset constant, and c is a third preset constant; and N is a positive integer greater than or equal to 2.
In this embodiment, the first processing unit 12 is specifically configured to determine the density of the single molecule through a physical property calculation model in the following manner:
wherein D is the density of the single molecule, SOL is a single molecular vector converted according to the number of GROUPs of each GROUP constituting the single molecule, GROUP 21 GROUP is the vector of N +1 contribution converted from the contribution of the primary GROUP to the density 22 GROUP, the vector of N +2 contribution values converted from the contribution values of secondary GROUPs to the density 2N The vector of the 2N contribution value is obtained by converting the contribution value of the N-grade group to the density, and e is a fourth preset constant; and N is a positive integer greater than or equal to 2.
In this embodiment, the first processing unit 12 is specifically configured to determine the octane number of a single molecule through a physical property calculation model according to the following manners:
X＝SOL×GROUP 31 +SOL×GROUP 32 +......+SOL×GROUP 3N +h；
wherein X is the octane number of the single molecule, SOL is a single molecular vector converted according to the number of GROUPs of each GROUP constituting the single molecule, GROUP 31 Is the 2N +1 contribution vector, GROUP, converted from the contribution of the primary GROUP to the octane number 32 Is the 2N +2 contribution vector, GROUP, converted from the contribution of the secondary GROUP to the octane number 3N The 3N contribution value vector is obtained by converting the contribution value of the N-grade group to the octane number; n is a positive integer greater than or equal to 2; h is a fifth predetermined constant.
The physical properties of the blended gasoline product include: research octane number, motor octane number, reid vapor pressure, engler range, density, benzene volume fraction, aromatics volume fraction, olefins volume fraction, oxygen mass fraction, and sulfur mass fraction.
In the present embodiment, the first processing unit 12 is specifically configured to calculate the density of the blended gasoline product by the following method:
density＝∑(D i ×x i-volume )；
wherein density is the density of the blended gasoline product, D i Is the density, x, of the said single molecule of the ith species i-volume Is the second component content of the ith said single molecule.
In this embodiment, the first processing unit 12 is specifically configured to calculate a cloud point contribution value of each of the single molecules according to the density and the boiling point of each of the single molecules; calculating the cloud point of the blended gasoline product based on the cloud point contributions of all of the single molecules and the second component content in the blended gasoline product.
In this embodiment, the first processing unit 12 is specifically configured to calculate a pour point contribution value of each of the single molecules according to the density and molecular weight of each of the single molecules; calculating the pour point of the blended gasoline product based on the pour point contribution values and the second component content of all of the single molecules in the blended gasoline product.
In this embodiment, the first processing unit 12 is specifically configured to calculate an aniline point contribution value of the single molecule according to the density and the boiling point of the single molecule; and calculating the aniline point of the mixed gasoline product according to the aniline point contribution values of all the single molecules in the mixed gasoline product and the content of the second component.
In this embodiment, the first processing unit 12 is specifically configured to calculate the octane number of the blended gasoline product by using the following calculation formula:
wherein ON is the octane number of the mixed gasoline product, HISQFG is a molecular set, H is a molecular set of normal paraffin, I is a molecular set of isoparaffin, S is a molecular set of cycloparaffin, Q is a molecular set of olefin, F is a molecular set of aromatic hydrocarbon, G is a molecular set of oxygen-containing compound, and upsilon is i Is the content of each molecule in the blended gasoline product; v is a cell H 、υ I 、υ S 、υ Q 、υ F 、υ G Respectively the total content of normal paraffin, the total content of isoparaffin, the total content of cycloparaffin, the total content of olefin, the total content of aromatic hydrocarbon and the total content of oxygen-containing compounds in the mixed gasoline product; beta is a i A regression parameter for each molecule in the blended gasoline product; ON i An octane number for each molecule in the blended gasoline product; c H Representing the interaction coefficient of the normal alkane with other molecules; c I Representing the interaction coefficient of the isoparaffin with other molecules; c S Representing the coefficient of interaction of cycloalkanes with other molecules; c Q Representing the coefficient of interaction of the olefin with other molecules; c F Representing the interaction coefficient of the aromatic hydrocarbon with other molecules; c G Representing the interaction coefficient of the oxygen-containing compound and other molecules;
a first constant coefficient between the normal paraffin and the isoparaffin,
A first constant coefficient between n-alkane and cycloalkane,
A first constant coefficient between the normal paraffin and the olefin,
A first constant coefficient between n-alkane and aromatic hydrocarbon,
A first constant coefficient between the normal alkane and the oxygen-containing compound,
A first constant coefficient between isoparaffin and cycloalkane,
A first constant coefficient between the isoparaffin and the olefin,
A first constant coefficient between isoparaffin and aromatic hydrocarbon,
A first constant coefficient between the isoparaffin and the oxygen-containing compound,
A first constant coefficient between a cycloalkane and an olefin,
A first constant coefficient between a cycloalkane and an aromatic hydrocarbon,
A first constant coefficient representing the ratio between the cycloalkane and the oxygen-containing compound,
A first constant coefficient between olefin and aromatic hydrocarbon,
A first constant coefficient between the olefin and the oxygen-containing compound,
A first constant coefficient between the aromatic hydrocarbon and the oxygen-containing compound,
A second constant coefficient between the normal paraffin and the isoparaffin,
A second constant coefficient between n-alkane and cycloalkane,
A second constant coefficient between the normal paraffin and the olefin,
A second constant coefficient between the normal paraffin and the aromatic hydrocarbon,
A second constant coefficient between the normal alkane and the oxygen-containing compound,
A second constant coefficient between isoparaffin and cycloalkane,
Denotes the second constant between isoparaffin and olefinA numerical coefficient,
A second constant coefficient between isoparaffin and aromatic hydrocarbon,
A second constant coefficient between the isoparaffin and the oxygen-containing compound,
A second constant coefficient between the cycloalkane and the olefin,
A second constant coefficient between the cycloalkane and the aromatic hydrocarbon,
A second constant coefficient representing the ratio between the cycloalkane and the oxygen-containing compound,
A second constant coefficient between olefin and aromatic hydrocarbon,
A second constant coefficient between the olefin and the oxygen-containing compound,
Represents a second constant coefficient between the aromatic hydrocarbon and the oxygen-containing compound; wherein the octane number comprises: research octane number and motor octane number.
As shown in fig. 9, an embodiment of the present invention provides a gasoline blending device, which includes a processor 1110, a communication interface 1120, a memory 1130, and a communication bus 1140, wherein the processor 1110, the communication interface 1120, and the memory 1130 complete communication with each other through the communication bus 1140;
a memory 1130 for storing computer programs;
the processor 1110, when executing the program stored in the memory 1130, implements the steps of the gasoline blending method: blending all groups of gasoline blending raw materials according to a preset rule set to obtain a plurality of groups of mixed gasoline products; respectively calculating the gasoline physical properties of each group of mixed gasoline products, and judging whether the gasoline physical properties of each group of mixed gasoline products meet any preset standard in a preset standard set; if the gasoline physical properties of each group of mixed gasoline products meet any one preset standard in a preset standard set, calculating the accumulated benefit of all the mixed gasoline products, and judging whether the accumulated benefit reaches the maximum value or not; if the accumulated benefit reaches the maximum value, taking a preset rule set as an optimal blending proportion; and if the cumulative benefit does not reach the maximum value, adjusting the preset rules in the preset rule set, blending all gasoline blending raw materials according to the adjusted preset rule set, and obtaining multiple groups of mixed gasoline products again until the gasoline physical properties of each group of mixed gasoline products meet any preset standard in the preset standard set, and the cumulative benefit of all mixed gasoline products reaches the maximum value.
Wherein, before calculating the cumulative benefit of all the mixed gasoline products, the blending method further comprises the following steps: obtaining the ratio of the yield of the target product in all mixed gasoline products; judging whether the ratio value accords with a preset ratio value interval or not; if the occupation ratio value accords with the preset occupation ratio value interval, executing the step of calculating the cumulative benefits of all the mixed gasoline products; if the ratio value does not accord with the preset ratio value interval, adjusting the preset rules in the preset rule set, blending each gasoline blending raw material according to the adjusted preset rule set, and obtaining multiple groups of mixed gasoline products again until the ratio value accords with the preset ratio value interval.
Wherein, before calculating and calculating the cumulative benefit of all the mixed gasoline products, the blending method further comprises: obtaining the consumption of each group of gasoline blending raw materials; confirming the consumption of the target gasoline blending material according to the consumption of each group of gasoline blending materials; judging whether the consumption of the target gasoline blending raw material accords with a preset consumption interval or not; if the consumption of the target gasoline blending raw material accords with a preset consumption interval, executing a step of calculating the cumulative benefits of all mixed gasoline products; and if the consumption of the target gasoline blending raw material does not accord with the preset consumption interval, adjusting the preset rules in the preset rule set, blending each gasoline blending raw material according to the adjusted preset rule set, and obtaining a plurality of groups of mixed gasoline products again until the consumption of the target gasoline blending raw material accords with the preset consumption interval.
The blending method also comprises the following steps: and if the gasoline physical properties of any group of mixed gasoline products do not accord with any preset standard in the preset standard set, adjusting the preset rules in the preset rule set, blending all gasoline blending raw materials according to the adjusted preset rule set, and obtaining multiple groups of mixed gasoline products again until the gasoline physical properties of each group of mixed gasoline products accord with any preset standard in the preset standard set.
Wherein, the step of respectively calculating the gasoline physical properties of each group of mixed gasoline products comprises the following steps: obtaining a first molecular composition of each group of gasoline blending stocks and a first component content of each single molecule; according to a preset rule set, obtaining a second molecular composition of each group of mixed gasoline products and a second component content of each single molecule according to the first molecular composition of each group of gasoline blending raw materials and the first component content of each single molecule; calculating the physical properties of each single molecule according to the number of groups of each group contained in each single molecule of each group of mixed gasoline products and the contribution value of each group to the physical properties; and calculating the physical properties of each group of mixed gasoline products according to the physical properties of each single molecule and the content of the second component in each group of mixed gasoline products.
Wherein, the calculation of the physical properties of each single molecule comprises the following steps: for each single molecule, acquiring the number of groups of each group constituting the single molecule and acquiring the contribution value of each group to physical properties; the number of groups of each group constituting a single molecule and the contribution value of each group to the physical property are input to a physical property calculation model trained in advance, and the physical property of the single molecule output by the physical property calculation model is acquired.
Before inputting the number of groups of each group constituting a single molecule and the contribution value of each group to the physical property into a physical property calculation model trained in advance, the gasoline blending method further comprises: comparing the number of groups of each group forming a single molecule with the molecular information of the template single molecule with known physical properties prestored in a database; the molecular information includes: the number of groups of each type constituting a single molecule of the template; judging whether template single molecules identical to the single molecules exist or not; if the template single molecule identical to the single molecule exists, outputting the physical property of the template single molecule as the physical property of the single molecule; if there is no template single molecule identical to the single molecule, the number of groups per group constituting the single molecule and the contribution value of each group to the physical property are input to a physical property calculation model trained in advance.
Wherein the step of training the physical property calculation model comprises: constructing a physical property calculation model of a single molecule; obtaining the number of groups of each group constituting a single molecule of the sample; the physical properties of a single molecule of a sample are known; inputting the number of groups of each group contained in a single molecule of the sample into a physical property calculation model; obtaining the predicted physical property of a sample single molecule output by the physical property calculation model; if the deviation value between the predicted physical property and the known physical property is smaller than a preset deviation threshold value, judging that the physical property calculation model converges, acquiring a contribution value corresponding to each group in the converged physical property calculation model, and storing the contribution value as the contribution value of the group to the physical property; if the deviation value between the predicted physical property and the known physical property is equal to or greater than the deviation threshold value, the contribution value corresponding to each group in the physical property calculation model is adjusted until the physical property calculation model converges.
Wherein, the construction of the monomolecular physical property calculation model comprises the following steps:
the following physical property calculation model is established:
wherein f is a monomolecular physical property, and n i Number of groups of i-th group,. DELTA.f i The i-th group contributes to the physical property, and a is a correlation constant.
Determining a first-order group, the group number of the multilevel group and the group number of the multilevel group in all groups of a single molecule of a sample;
all groups constituting a single molecule are taken as primary groups;
a plurality of groups which exist simultaneously and contribute to the same physical property are defined as a multi-stage group, and the number of the plurality of groups is defined as the order of the multi-stage group.
Wherein, a physical property calculation model shown as follows is established:
wherein f is a physical property of a single molecule, and m is 1i Number of groups of the i-th group in the primary group,. DELTA.f 1i M is the value of the contribution of the ith group in the primary group to the physical properties 2j Number of groups of jth group in the secondary group,. DELTA.f 2j Is the contribution value of the jth group in the secondary group to the physical property; m is a unit of Nl Number of groups of the first group in the N-th group,. DELTA.f Nl Is the contribution value of the first group in the N-grade groups to physical properties; a is a correlation constant; n is a positive integer greater than or equal to 2.
Wherein the boiling point of the single molecule is calculated according to the following physical property calculation model:
wherein T is the boiling point of a single molecule, SOL is the monomolecular vector converted from the number of GROUPs of each GROUP constituting a single molecule, GROUP 11 GROUP, a first contribution vector derived from the conversion of the contribution of the primary GROUP to the boiling point 12 GROUP, a second contribution vector converted from the contribution of the secondary GROUP to the boiling point 1N The N contribution value vector is obtained by converting the contribution value of the N-level group to the boiling point, numh is the number of atoms except hydrogen atoms in a single molecule, d is a first preset constant, b is a second preset constant, and c is a third preset constant; n is a positive integer greater than or equal to 2.
Wherein the density of the single molecule is calculated according to the following physical property calculation model:
wherein D is the density of a single molecule, SOL is a single molecular vector converted according to the number of GROUPs of each GROUP constituting a single molecule, GROUP 21 GROUP is the N +1 contribution vector converted from the contribution of the primary GROUP to density 22 GROUP, the vector of N +2 contribution values converted from the contribution values of the secondary GROUPs to density 2N The vector of the 2N contribution value is obtained by converting the contribution value of the N-grade group to the density, and e is a fourth preset constant; n is a positive integer greater than or equal to 2.
Wherein the octane number of a single molecule is calculated according to the following physical property calculation model:
X＝SOL×GROUP 31 +SOL×GROUP 32 +......+SOL×GROUP 3N +h；
wherein X is the octane number of a single molecule, SOL is a single molecular vector converted according to the number of GROUPs of each GROUP constituting a single molecule, GROUP 31 Is the 2N +1 contribution vector converted from the contribution of the primary GROUP to the octane number, GROUP 32 Is the 2N +2 contribution vector converted from the contribution of the secondary GROUP to the octane number, GROUP 3N The 3N contribution value vector is obtained by converting the contribution value of the N-grade group to the octane number; n is a positive integer greater than or equal to 2; h is a fifth predetermined constant.
Wherein, the physical properties of the mixed gasoline product comprise: research octane number, motor octane number, reid vapor pressure, enkoff range, density, benzene volume fraction, aromatics volume fraction, olefins volume fraction, oxygen mass fraction, and sulfur mass fraction.
Wherein the density of the blended gasoline product is calculated by the following calculation formula:
density＝∑(D i ×x i-volume )；
wherein denThe severity is the density of the blended gasoline product, D i Density of the ith single molecule, x i-volume Is the second component content of the ith single molecule.
Wherein the cloud point contribution value of each single molecule is calculated according to the density and boiling point of each single molecule; the cloud point of the mixed gasoline product is calculated based on the cloud point contributions of all of the single molecules in the mixed gasoline product and the second component content.
Wherein the pour point contribution value for each single molecule is calculated from the density and molecular weight of each single molecule; the pour point of the blended gasoline product is calculated based on the pour point contribution values and the second component content of all of the single molecules in the blended gasoline product.
Calculating the aniline point contribution value of the single molecule according to the density and the boiling point of the single molecule; and calculating the aniline point contribution value of the mixed gasoline product according to the aniline point contribution values of all the single molecules in the mixed gasoline product and the content of the second component.
Wherein, the octane number of the mixed gasoline product is calculated by the following calculation formula:
wherein ON is the octane number of the mixed gasoline product, HISQFG is a molecular set, H is a molecular set of normal paraffin, I is a molecular set of isoparaffin, S is a molecular set of cycloparaffin, Q is a molecular set of olefin, F is a molecular set of aromatic hydrocarbon, G is a molecular set of oxygenated compounds, and upsilon is i Is the content of each molecule in the blended gasoline product; v is a cell H 、υ I 、υ S 、υ Q 、υ F 、υ G Respectively the total content of normal paraffin, the total content of isoparaffin, the total content of cycloparaffin, the total content of olefin, the total content of aromatic hydrocarbon and the total content of oxygen-containing compounds in the mixed gasoline product; beta is a i A regression parameter for each molecule in the blended gasoline product; ON i An octane number for each molecule in the blended gasoline product; c H Representing the interaction coefficient of the normal alkane with other molecules; c I Representing the interaction coefficient of the isoparaffin with other molecules; c S Representing the interaction coefficient of the cycloalkanes with other molecules; c Q Representing the coefficient of interaction of the olefin with other molecules; c F Representing the interaction coefficient of the aromatic hydrocarbon with other molecules; c G Representing the interaction coefficient of the oxygen-containing compound and other molecules;
a first constant coefficient between the normal paraffin and the isoparaffin,
A first constant coefficient between n-alkane and cycloalkane,
Represents a normal alkane anda first constant coefficient between olefins,
A first constant coefficient between n-alkane and aromatic hydrocarbon,
A first constant coefficient between the normal alkane and the oxygen-containing compound,
A first constant coefficient between isoparaffin and cycloalkane,
A first constant coefficient between the isoparaffin and the olefin,
A first constant coefficient between isoparaffin and aromatic hydrocarbon,
A first constant coefficient between the isoparaffin and the oxygen-containing compound,
A first constant coefficient between a cycloalkane and an olefin,
A first constant coefficient between a cycloalkane and an aromatic hydrocarbon,
A first constant coefficient representing the ratio between the cycloalkane and the oxygen-containing compound,
A first constant coefficient between olefin and aromatic hydrocarbon,
A first constant coefficient between the olefin and the oxygen-containing compound,
A first constant coefficient between the aromatic hydrocarbon and the oxygen-containing compound,
A second constant coefficient between the normal paraffin and the isoparaffin,
A second constant coefficient between n-alkane and cycloalkane,
A second constant coefficient between the normal paraffin and the olefin,
A second constant coefficient between the normal paraffin and the aromatic hydrocarbon,
A second constant coefficient between the normal alkane and the oxygen-containing compound,
A second constant coefficient between isoparaffin and cycloalkane,
A second constant coefficient between the isoparaffin and the olefin,
A second constant coefficient between isoparaffin and aromatic hydrocarbon,
A second constant coefficient between the isoparaffin and the oxygen-containing compound,
A second constant coefficient between cycloalkane and olefin,
A second constant coefficient between the cycloalkane and the aromatic hydrocarbon,
A second constant coefficient representing the ratio between the cycloalkane and the oxygen-containing compound,
A second constant coefficient between olefin and aromatic hydrocarbon,
A second constant coefficient between the olefin and the oxygen-containing compound,
Represents a second constant coefficient between the aromatic hydrocarbon and the oxygen-containing compound; wherein the octane number comprises: research octane number and motor octane number.
Wherein, calculating the cumulative benefit of all the mixed gasoline products comprises the following steps: calculating the product benefit of each group of mixed gasoline products according to the yield of each group of mixed gasoline products and the product price of each group of mixed gasoline products; accumulating the product benefits of each group of mixed gasoline products to obtain a first benefit; obtaining the raw material price of each group of gasoline blending raw materials; subtracting the raw material prices of all groups of the gasoline blending stocks from the first benefits to obtain cumulative benefits.
Wherein, the standards of the vehicle oil products with different brands are obtained; and taking the standard of each brand of vehicle oil product as a preset standard to form a preset standard set.
In a specific embodiment, a schematic block diagram of a system configuration of the gasoline blending apparatus is shown in fig. 10, the gasoline blending apparatus further includes an input unit 1150, a display 1160 and a power supply 1170, the processor 1110 uses a central processing unit 1111 (the central processing unit 1111 is used for executing a program stored in the memory 1130 to implement steps of the gasoline blending method, refer to the contents of "the processor 1110 is used for executing a program stored in the memory 1130 to implement steps of the gasoline blending method", and the repetition points are not described again);
the memory 1130 may be a solid state memory such as a Read Only Memory (ROM), a Random Access Memory (RAM), a SIM card, or the like. There may also be a memory that holds information even when power is off, can be selectively erased, and is provided with more data, an example of which is sometimes referred to as an EPROM or the like. The memory 1130 may also be some other type of device. The memory 1130 includes a buffer memory 1131 (sometimes referred to as a buffer). The memory 1130 may include an application/function storage portion 1132, the application/function storage portion 1132 for storing application programs and function programs or a flow for performing the operation of the gasoline blending device by the central processor 1111;
the memory 1130 may also include a data store 1133, the data store 1133 configured to store data, such as a set of preset rules, a set of preset criteria, a set of preset fraction values, a set of preset consumption values, digital data, pictures, and/or any other data used by the gasoline blending device; the driver storage section 1134 of the memory 1130 may include various drivers for the gasoline blending equipment;
a central processor 1111, sometimes also referred to as a controller or operational control, which may include a microprocessor or other processor device and/or logic device, receives inputs and controls the operation of various components of the gasoline blending facility;
the input unit 1150 provides input to the central processor 1111; the input unit 1150 is, for example, a key or a touch input device; power supply 1170 is used to provide power to the gasoline blending facility; the display 1160 is used for displaying display objects such as images and characters; the display may be, for example, but is not limited to, an LCD display.
Embodiments of the present invention provide a computer-readable storage medium storing one or more programs, which are executable by one or more processors 1110 to implement a gasoline blending method according to any of the above embodiments.
In the above embodiments, all or part of the implementation may be realized by software, hardware, firmware, or any combination thereof. When implemented in software, it may be implemented in whole or in part in the form of a computer program product. The computer program product includes one or more computer instructions. The procedures or functions according to the embodiments of the invention are all or partially generated when the computer program instructions are loaded and executed on a computer. The computer may be a general purpose computer, a special purpose computer, a network of computers, or other programmable device. The computer instructions may be stored in a computer readable storage medium or transmitted from one computer readable storage medium to another computer readable storage medium, for example, the computer instructions may be transmitted from one website, computer, server, or data center to another website, computer, server, or data center via wired (e.g., coaxial cable, fiber optic, digital Subscriber Line (DSL)) or wireless (e.g., infrared, wireless, microwave, etc.) means. The computer-readable storage medium can be any available medium that can be accessed by a computer or a data storage device, such as a server, a data center, etc., that incorporates one or more of the available media. The usable medium may be a magnetic medium (e.g., floppy Disk, hard Disk, magnetic tape), an optical medium (e.g., DVD), or a semiconductor medium (e.g., solid State Disk (SSD)), among others.
Finally, it should be noted that: the above examples are only intended to illustrate the technical solution of the present invention, and not to limit it; although the present invention has been described in detail with reference to the foregoing embodiments, it will be understood by those of ordinary skill in the art that: the technical solutions described in the foregoing embodiments may still be modified, or some technical features may be equivalently replaced; and such modifications or substitutions do not depart from the spirit and scope of the corresponding technical solutions of the embodiments of the present invention.
Claims (27)
1. A gasoline blending process, characterized in that the blending process comprises:
blending each group of gasoline blending raw materials according to a preset rule set to obtain a plurality of groups of mixed gasoline products;
respectively calculating the gasoline physical properties of each group of mixed gasoline products, and judging whether the gasoline physical properties of each group of mixed gasoline products meet any preset standard in a preset standard set;
if the gasoline physical properties of each group of the mixed gasoline products meet any one preset standard in a preset standard set, calculating the accumulated benefit of all the mixed gasoline products, and judging whether the accumulated benefit reaches the maximum value or not;
if the accumulated benefit reaches the maximum value, taking the preset rule set as the optimal blending proportion;
if the cumulative benefit does not reach the maximum value, adjusting the preset rules in the preset rule set, blending the gasoline blending raw materials according to the adjusted preset rule set, and obtaining multiple groups of mixed gasoline products again until the gasoline physical properties of each group of mixed gasoline products meet any preset standard in the preset standard set, and the cumulative benefit of all the mixed gasoline products reaches the maximum value;
wherein the separately calculating the gasoline physical properties of each group of blended gasoline products comprises:
obtaining a first molecular composition for each group of the gasoline blend stock and a first component content for each single molecule;
according to the preset rule set, obtaining a second molecular composition of each group of mixed gasoline products and a second component content of each single molecule according to the first molecular composition of each group of gasoline blending raw materials and the first component content of each single molecule;
calculating physical properties of each single molecule based on the number of groups of each group contained in each single molecule of each group of the blended gasoline product and the contribution value of each group to the physical properties;
calculating the physical properties of each group of mixed gasoline products according to the physical properties of each single molecule and the content of the second component in each group of mixed gasoline products; wherein the physical properties of the blended gasoline product include research octane number and/or motor octane number, and the octane number of the blended gasoline product is calculated by the following calculation formula:
wherein ON is the octane number of the mixed gasoline product, HISQFG is a molecular set, H is a molecular set of normal paraffin, I is a molecular set of isoparaffin, S is a molecular set of cycloparaffin, Q is a molecular set of olefin, F is a molecular set of aromatic hydrocarbon, G is a molecular set of oxygenated compounds, and upsilon is i Is the content of each molecule in the blended gasoline product; upsilon is H 、υ I 、υ S 、υ Q 、υ F 、υ G Respectively the total content of normal paraffin, the total content of isoparaffin, the total content of cycloparaffin, the total content of olefin, the total content of aromatic hydrocarbon and the total content of oxygen-containing compounds in the mixed gasoline product; beta is a beta i A regression parameter for each molecule in the blended gasoline product; ON i An octane number for each molecule in the blended gasoline product; c H Representing the interaction coefficient of the normal alkane with other molecules; c I Representing the interaction coefficient of the isoparaffin with other molecules; c S Representing the coefficient of interaction of cycloalkanes with other molecules; c Q Represents the interaction coefficient of the olefin with other molecules; c F Representing the interaction coefficient of the aromatic hydrocarbon with other molecules; c G Representing the interaction coefficient of the oxygen-containing compound and other molecules;
a first constant coefficient between the normal paraffin and the isoparaffin,
A first constant coefficient between n-alkane and cycloalkane,
A first constant coefficient between the normal paraffin and the olefin,
A first constant coefficient between n-alkane and aromatic hydrocarbon,
A first constant coefficient between the normal alkane and the oxygen-containing compound,
A first constant coefficient between isoparaffin and cycloalkane,
A first constant coefficient between the isoparaffin and the olefin,
A first constant coefficient between isoparaffin and aromatic hydrocarbon,
A first constant coefficient between the isoparaffin and the oxygen-containing compound,
A first constant coefficient between a cycloalkane and an olefin,
A first constant coefficient between a cycloalkane and an aromatic hydrocarbon,
A first constant coefficient representing the ratio of the amount of the cycloalkane to the amount of the oxygen-containing compound,
A first constant coefficient between olefin and aromatic hydrocarbon,
A first constant coefficient between the olefin and the oxygen-containing compound,
A first constant coefficient between the aromatic hydrocarbon and the oxygen-containing compound,
A second constant coefficient between the normal paraffin and the isoparaffin,
A second constant coefficient between n-alkane and cycloalkane,
A second constant coefficient between the normal paraffin and the olefin,
A second constant coefficient between the normal paraffin and the aromatic hydrocarbon,
A second constant coefficient between the normal alkane and the oxygen-containing compound,
A second constant coefficient between isoparaffin and cycloalkane,
A second constant coefficient between the isoparaffin and the olefin,
A second constant coefficient between isoparaffin and aromatic hydrocarbon,
A second constant coefficient between the isoparaffin and the oxygen-containing compound,
A second constant coefficient between the cycloalkane and the olefin,
A second constant coefficient between the cycloalkane and the aromatic hydrocarbon,
A second constant coefficient representing the ratio of the number of cycloalkanes to the number of oxygen-containing compounds,
A second constant coefficient between olefin and aromatic hydrocarbon,
A second constant coefficient between the olefin and the oxygen-containing compound,
Represents a second constant coefficient between the aromatic hydrocarbon and the oxygen-containing compound; wherein the octane number comprises: research octane number and motor octane number.
2. The gasoline blending method of claim 1, wherein prior to calculating the cumulative benefit of all of the blended gasoline products, the blending method further comprises:
obtaining the ratio of the yield of the target product in all the mixed gasoline products;
judging whether the ratio accords with a preset ratio interval or not;
if the ratio accords with the preset ratio range, executing the step of calculating the cumulative benefit of all the mixed gasoline products;
if the ratio does not accord with the preset ratio interval, adjusting the preset rules in the preset rule set, blending each gasoline blending raw material according to the adjusted preset rule set, and obtaining multiple groups of mixed gasoline products again until the ratio accords with the preset ratio interval.
3. The gasoline blending method of claim 1, wherein prior to calculating the cumulative benefit of all of the blended gasoline products, the blending method further comprises:
obtaining the consumption of each group of the gasoline blending stock;
determining the consumption of the target gasoline blend stock according to the consumption of each group of the gasoline blend stocks;
judging whether the consumption of the target gasoline blending raw material accords with a preset consumption interval or not;
if the consumption of the target gasoline blending raw material accords with a preset consumption interval, executing the step of calculating the cumulative benefits of all the mixed gasoline products;
and if the consumption of the target gasoline blending raw material does not accord with the preset consumption interval, adjusting the preset rules in the preset rule set, blending each gasoline blending raw material according to the adjusted preset rule set, and obtaining multiple groups of mixed gasoline products again until the consumption of the target gasoline blending raw material accords with the preset consumption interval.
4. The gasoline blending method of claim 1, further comprising:
and if the gasoline physical properties of any group of mixed gasoline products do not accord with any preset standard in the preset standard set, adjusting the preset rules in the preset rule set, blending all the gasoline blending raw materials according to the adjusted preset rule set, and obtaining multiple groups of mixed gasoline products again until the gasoline physical properties of each group of mixed gasoline products accord with any preset standard in the preset standard set.
5. The gasoline blending method of claim 1, wherein the calculating physical properties of each single molecule comprises:
for each single molecule, acquiring the number of groups of each group constituting the single molecule, and acquiring a contribution value of each of the groups to physical properties;
inputting the number of groups of each group constituting the single molecule and the contribution value of each group to the physical property into a physical property calculation model trained in advance, and obtaining the physical property of the single molecule output by the physical property calculation model.
6. The gasoline blending method according to claim 5, wherein before inputting the number of radicals of each of the radicals constituting the single molecule and the contribution value of each of the radicals to the physical property into a physical property calculation model trained in advance, the gasoline blending method further comprises:
comparing the number of groups of each group forming the single molecule with the pre-stored molecular information of the template single molecule with known physical properties in a database; the molecular information includes: the number of groups of each group constituting a single molecule of the template;
determining whether the template single molecule identical to the single molecule is present;
if the template single molecule identical to the single molecule exists, outputting the physical property of the template single molecule as the physical property of the single molecule;
and if the template single molecule identical to the single molecule does not exist, inputting the number of groups per group constituting the single molecule and the contribution value of each group to the physical property into a physical property calculation model trained in advance.
7. The gasoline blending method of claim 5, wherein the step of training the physical property calculation model comprises:
constructing a physical property calculation model of a single molecule;
obtaining the number of groups of each group constituting a single molecule of a sample; the physical properties of the sample single molecules are known;
inputting the number of groups of each group contained in a single molecule of the sample into the physical property calculation model;
obtaining the predicted physical property of the sample single molecule output by the physical property calculation model;
if the deviation value between the predicted physical property and the known physical property is smaller than a preset deviation threshold value, determining that the physical property calculation model converges, acquiring a contribution value corresponding to each group in the converged physical property calculation model, and storing the contribution value as the contribution value of the group to the physical property;
if the deviation value between the predicted physical property and the known physical property is equal to or greater than the deviation threshold value, the contribution value corresponding to each group in the physical property calculation model is adjusted until the physical property calculation model converges.
8. The gasoline blending method of claim 7, wherein the constructing a model for calculating the physical properties of the single molecules comprises:
the following physical property calculation model is established:
wherein f is a physical property of the single molecule, and n is i Number of groups of i-th group,. DELTA.f i The value of contribution of the i-th group to the physical property, and a is a correlation constant.
9. The gasoline blending method of claim 7, wherein the obtaining the number of groups of each group that make up a single molecule of the sample comprises:
determining a primary group, the group number of the multilevel group and the group number of the multilevel group in all groups of the single molecule of the sample;
all groups constituting a single molecule are taken as primary groups;
a plurality of groups which exist simultaneously and contribute to the same physical property are defined as a multi-stage group, and the number of the plurality of groups is defined as the order of the multi-stage group.
10. The gasoline blending method of claim 9,
the following physical property calculation model is established:
wherein f is the physical property of the single molecule, and m is 1i Is the number of groups of the i-th group in the primary group,. DELTA.f 1i M is the value of the contribution of the ith group in the primary group to the physical properties 2j Number of groups of jth group in the secondary group,. DELTA.f 2j Is the contribution value of the jth group in the secondary group to the physical property; m is a unit of Nl Number of groups of the first group in the N-th group,. DELTA.f Nl Is the contribution value of the first group in the N-grade groups to physical properties; a is a correlation constant; n is a positive integer greater than or equal to 2.
11. The gasoline blending method of claim 5, wherein the obtaining the number of radicals of each of the radicals comprising the single molecule comprises:
determining primary groups, the number of primary groups, multistage groups and the number of multistage groups in all groups of the single molecule;
all groups constituting a single molecule are taken as primary groups;
a plurality of groups which exist simultaneously and contribute to the common existence of the same physical property are used as a multi-stage group, and the number of the plurality of groups is used as the level of the multi-stage group.
12. The gasoline blending process of claim 11,
the physical properties of the single molecule include: the boiling point of a single molecule;
the physical property calculation model determines the boiling point of the single molecule as follows:
wherein T is a boiling point of the single molecule, SOL is a single converted from the number of groups of each group constituting the single moleculeMolecular vector, GROUP 11 GROUP, a first contribution vector converted from the contribution of the primary GROUP to the boiling point 12 GROUP, a second contribution vector converted from the contribution of secondary GROUPs to the boiling point 1N The N contribution value vector is obtained by converting the contribution value of the N-level group to the boiling point, numh is the number of atoms except hydrogen atoms in a single molecule, d is a first preset constant, b is a second preset constant, and c is a third preset constant; and N is a positive integer greater than or equal to 2.
13. The gasoline blending method of claim 11,
the physical properties of the single molecule include: the density of the single molecule;
the physical property calculation model determines the density of the single molecule in the following manner:
wherein D is the density of the single molecule, SOL is a single molecular vector converted according to the number of GROUPs of each GROUP constituting the single molecule, GROUP 21 GROUP is the vector of N +1 contribution converted from the contribution of the primary GROUP to the density 22 GROUP is the vector of N +2 contribution converted from the contribution of secondary GROUPs to the density 2N The vector of the 2N contribution value is obtained by converting the contribution value of the N-grade group to the density, and e is a fourth preset constant; and N is a positive integer greater than or equal to 2.
14. The gasoline blending process of claim 11,
the physical properties of the single molecule include: the octane number of a single molecule;
the physical property calculation model determines the octane number of a single molecule according to the following modes:
X＝SOL×GROUP 31 +SOL×GROUP 32 +......+SOL×GROUP 3N +h；
wherein X is the octane number of the single molecule, SOL is a single molecular vector converted according to the number of GROUPs of each GROUP constituting the single molecule, GROUP 31 Is the 2N +1 contribution vector, GROUP, converted from the contribution of the primary GROUP to the octane number 32 Is the 2N +2 contribution vector converted from the contribution of the secondary GROUP to the octane number, GROUP 3N The 3N contribution value vector is obtained by converting the contribution value of the N-grade group to the octane number; n is a positive integer greater than or equal to 2; h is a fifth predetermined constant.
15. The gasoline blending process of claim 1,
the physical properties of the blended gasoline product include: research octane number, motor octane number, reid vapor pressure, engler range, density, benzene volume fraction, aromatics volume fraction, olefins volume fraction, oxygen mass fraction, and sulfur mass fraction.
16. The gasoline blending process of claim 15, wherein calculating the physical properties of each set of blended gasoline products based on the physical properties of each single molecule and the second component content of each set of blended gasoline products comprises:
the density of the blended gasoline product was calculated by the following method:
density＝∑(D i ×x i _volume)；
wherein density is the density of the blended gasoline product, D i Density, x, of the ith said single molecule i And _volumeis the content of the second component of the ith single molecule.
17. The gasoline blending process of claim 15, wherein calculating the physical properties of each set of blended gasoline products based on the physical properties of each single molecule and the amount of the second component in each set of blended gasoline products comprises:
calculating a cloud point contribution for each of said single molecules based on the density and boiling point of each of said single molecules;
calculating the cloud point of the blended gasoline product based on the cloud point contributions of all of the single molecules and the second component content in the blended gasoline product.
18. The gasoline blending process of claim 15, wherein calculating the physical properties of each set of blended gasoline products based on the physical properties of each single molecule and the amount of the second component in each set of blended gasoline products comprises:
calculating a pour point contribution value for each of the single molecules based on the density and molecular weight of each of the single molecules;
calculating the pour point of the blended gasoline product based on the pour point contribution values and the second component content of all of the single molecules in the blended gasoline product.
19. The gasoline blending process of claim 15, wherein calculating the physical properties of each set of blended gasoline products based on the physical properties of each single molecule and the amount of the second component in each set of blended gasoline products comprises:
calculating to obtain the aniline point contribution value of the single molecule according to the density and boiling point of the single molecule;
and calculating the aniline point of the mixed gasoline product according to the aniline point contribution values of all the single molecules in the mixed gasoline product and the content of the second component.
20. A gasoline blending process according to any one of claims 1 to 19 wherein said calculating the cumulative benefit of all of said blended gasoline products comprises:
calculating the product benefit of each group of mixed gasoline products according to the yield of each group of mixed gasoline products and the product price of each group of mixed gasoline products;
accumulating the product benefits of each group of mixed gasoline products to obtain a first benefit;
obtaining the raw material price of each group of the gasoline blending raw materials;
subtracting the feed price for all of the gasoline blend stocks of each group from the first benefit to obtain the cumulative benefit.
21. A gasoline blending process according to any one of claims 1 to 19 wherein the gasoline blending process comprises:
obtaining standards of vehicle oil products with different brands;
and taking the standard of each brand of the automobile oil product as a preset standard to form the preset standard set.
22. A gasoline blending system, the system comprising:
the simulation blending unit is used for blending each group of gasoline blending raw materials according to a preset rule set to obtain a plurality of groups of mixed gasoline products;
a first processing unit for obtaining a first molecular composition and a first component content per single molecule for each group of the gasoline blend stock; obtaining a second molecular composition of each group of mixed gasoline products and a second component content of each single molecule according to the first molecular composition of each group of the gasoline blending stock and the first component content of each single molecule according to the preset rule set; calculating physical properties of each single molecule based on the number of groups of each group contained in each single molecule of each group of the blended gasoline product and the contribution value of each group to the physical properties; calculating the physical properties of each group of mixed gasoline products according to the physical properties of each single molecule and the content of the second component in each group of mixed gasoline products; wherein the physical properties of the blended gasoline product include research octane number and/or motor octane number, and the octane number of the blended gasoline product is calculated by the following calculation formula:
wherein ON is the octane number of the mixed gasoline product, HISQFG is a molecular set, H is a molecular set of normal paraffin, I is a molecular set of isoparaffin, S is a molecular set of cycloparaffin, Q is a molecular set of olefin, F is a molecular set of aromatic hydrocarbon, G is a molecular set of oxygen-containing compound, and upsilon is i Is the content of each molecule in the blended gasoline product; upsilon is H 、υ I 、υ S 、υ Q 、υ F 、υ G Respectively the total content of normal paraffin, the total content of isoparaffin, the total content of cycloparaffin, the total content of olefin, the total content of aromatic hydrocarbon and the total content of oxygen-containing compounds in the mixed gasoline product; beta is a beta i A regression parameter for each molecule in the blended gasoline product; ON i An octane number for each molecule in the blended gasoline product; c H Represents the interaction coefficient of the normal alkane with other molecules; c I Representing the interaction coefficient of the isoparaffin with other molecules; c S Denotes cycloalkanes and other componentsThe interaction coefficients of the children; c Q Represents the interaction coefficient of the olefin with other molecules; c F Representing the interaction coefficient of the aromatic hydrocarbon with other molecules; c G Representing the interaction coefficient of the oxygen-containing compound and other molecules;
a first constant coefficient between the normal paraffin and the isoparaffin,
A first constant coefficient between n-alkane and cycloalkane,
A first constant coefficient between the normal paraffin and the olefin,
A first constant coefficient between n-alkane and aromatic hydrocarbon,
A first constant coefficient between the normal alkane and the oxygen-containing compound,
A first constant coefficient between isoparaffin and cycloalkane,
A first constant coefficient between the isoparaffin and the olefin,
A first constant coefficient between isoparaffin and aromatic hydrocarbon,
Representing a first constant system between the isoparaffin and the oxygenateA plurality of,
A first constant coefficient between a cycloalkane and an olefin,
A first constant coefficient between a cycloalkane and an aromatic hydrocarbon,
A first constant coefficient representing the ratio between the cycloalkane and the oxygen-containing compound,
A first constant coefficient between olefin and aromatic hydrocarbon,
A first constant coefficient between the olefin and the oxygen-containing compound,
A first constant coefficient between the aromatic hydrocarbon and the oxygen-containing compound,
A second constant coefficient between the normal paraffin and the isoparaffin,
A second constant coefficient between the normal paraffin and the cycloalkane,
A second constant coefficient between the normal paraffin and the olefin,
A second constant coefficient between the normal paraffin and the aromatic hydrocarbon,
A second constant coefficient between the normal alkane and the oxygen-containing compound,
A second constant coefficient between isoparaffin and cycloalkane,
A second constant coefficient between the isoparaffin and the olefin,
A second constant coefficient between isoparaffin and aromatic hydrocarbon,
A second constant coefficient between the isoparaffin and the oxygen-containing compound,
A second constant coefficient between cycloalkane and olefin,
A second constant coefficient between the cycloalkane and the aromatic hydrocarbon,
A second constant coefficient representing the ratio of the number of cycloalkanes to the number of oxygen-containing compounds,
A second constant coefficient between olefin and aromatic hydrocarbon,
A second constant coefficient between the olefin and the oxygen-containing compound,
Represents a second constant coefficient between the aromatic hydrocarbon and the oxygen-containing compound; wherein the octane number comprises: research octane number and motor octane number
The second processing unit is used for calculating the accumulated benefit of all the mixed gasoline products and judging whether the accumulated benefit reaches the maximum value or not if the gasoline physical property of each group of the mixed gasoline products meets any preset standard in a preset standard set;
the third processing unit is used for taking the preset rule set as an optimal blending proportion if the accumulated benefit reaches the maximum value; and if the accumulated benefit does not reach the maximum value, adjusting the preset rules in the preset rule set, blending the gasoline blending raw materials according to the adjusted preset rule set, and obtaining multiple groups of mixed gasoline products again until the gasoline physical properties of each group of mixed gasoline products meet any preset standard in the preset standard set, and the accumulated benefit of all the mixed gasoline products reaches the maximum value.
23. The gasoline blending system of claim 22, wherein the system further comprises: the fourth processing unit is used for acquiring the proportion value of the yield of the target product in all the mixed gasoline products; judging whether the ratio value accords with a preset ratio value interval or not; if the ratio accords with the preset ratio range, executing the step of calculating the cumulative benefit of all the mixed gasoline products; if the ratio does not accord with the preset ratio interval, adjusting the preset rules in the preset rule set, blending each gasoline blending raw material according to the adjusted preset rule set, and obtaining multiple groups of mixed gasoline products again until the ratio accords with the preset ratio interval.
24. The gasoline blending system of claim 22, wherein the system further comprises: a fifth processing unit for obtaining a consumption of each group of the gasoline blend stocks; determining the consumption of a target gasoline blend stock based on the consumption of each group of the gasoline blend stocks; judging whether the consumption of the target gasoline blending raw material accords with a preset consumption interval or not; if the consumption of the target gasoline blending raw material accords with a preset consumption interval, executing the step of calculating the cumulative benefits of all the mixed gasoline products; and if the consumption of the target gasoline blending raw material does not accord with the preset consumption interval, adjusting the preset rules in the preset rule set, blending each gasoline blending raw material according to the adjusted preset rule set, and obtaining multiple groups of mixed gasoline products again until the consumption of the target gasoline blending raw material accords with the preset consumption interval.
25. The gasoline blending system of claim 22, wherein the system further comprises: and the sixth processing unit is used for adjusting the preset rules in the preset rule set if the gasoline physical properties of any group of mixed gasoline products do not accord with any preset standard in the preset standard set, blending all the gasoline blending raw materials according to the adjusted preset rule set, and obtaining multiple groups of mixed gasoline products again until the gasoline physical properties of each group of mixed gasoline products accord with any preset standard in the preset standard set.
26. The gasoline blending equipment is characterized by comprising a processor, a communication interface, a memory and a communication bus, wherein the processor and the communication interface are used for realizing the communication between the processor and the memory through the communication bus;
a memory for storing a computer program;
a processor for implementing the gasoline blending method of any one of claims 1 to 21 when executing a program stored in a memory.
27. A computer readable storage medium storing one or more programs, the one or more programs being executable by one or more processors to perform the gasoline blending method of any of claims 1-21.
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| CN109859805A (en) * | 2019-03-22 | 2019-06-07 | 杭州辛孚能源科技有限公司 | A kind of gasoline reconciliation optimization method based on molecular composition |
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