CN111899799B

CN111899799B - Reaction network display method, system, equipment and computer readable storage medium

Info

Publication number: CN111899799B
Application number: CN202010533479.0A
Authority: CN
Inventors: 纪晔; 王杭州; 孙宝文; 蒋子龙; 王新平; 王钦
Original assignee: Petrochina Co Ltd
Current assignee: Petrochina Co Ltd
Priority date: 2020-06-12
Filing date: 2020-06-12
Publication date: 2023-11-28
Anticipated expiration: 2040-06-12
Also published as: CN111899799A

Abstract

The invention relates to a reaction network display method, a system, equipment and a computer readable storage medium, wherein the method comprises the following steps: determining a feedstock molecular composition of a petroleum processing feedstock for a petroleum processing plant; inquiring a preset reaction rule set according to the molecular composition of the raw materials, generating a three-dimensional reaction network corresponding to the reaction process of the petroleum processing raw materials, and displaying the three-dimensional reaction network; the three-dimensional reaction network comprises a plurality of first output nodes and a plurality of first directed edges, wherein the first output nodes represent each single molecule in the raw material molecular composition and intermediate products or final products obtained by reacting petroleum processing raw materials, and the first directed edges are used for representing first reaction paths between every two single molecules in the raw material molecular composition and the intermediate products or final products. The invention realizes the data visualization of the reaction network, can display the information of each output node and the directed edge in the reaction process, and more intuitively displays the distribution rule of each output node and the directed edge.

Description

Reaction network display method, system, equipment and computer readable storage medium

Technical Field

The invention relates to the technical field of petrochemical industry, in particular to a reaction network display method, a reaction network display system, reaction network display equipment and a computer readable storage medium.

Background

Along with the progress of science and technology, people also have higher and higher requirements on display technology, so that the resolution is high, the display effect is required to be more real, and the display technology is especially applied to the petrochemical field.

Disclosure of Invention

To solve the above technical problems or at least partially solve the above technical problems, the present invention provides a method, a system, a device and a computer readable storage medium for displaying a reaction network.

In view of this, in a first aspect, the present invention provides a reactive network display method, the method comprising the steps of:

Determining a feedstock molecular composition of a petroleum processing feedstock for a petroleum processing plant;

inquiring a preset reaction rule set according to the molecular composition of the raw materials, generating a three-dimensional reaction network corresponding to the reaction process of the petroleum processing raw materials, and displaying the three-dimensional reaction network; the three-dimensional reaction network comprises a plurality of first output nodes and a plurality of first directed edges, wherein each first directed edge is connected with two first output nodes, the first output nodes are used for representing each single molecule in the raw material molecular composition and an intermediate product or a final product obtained by reacting the petroleum processing raw material, and the first directed edges are used for representing a first reaction path between every single molecule in the raw material molecular composition and every two intermediate products and final products.

With reference to the first aspect, in a first possible implementation manner of the first aspect, the querying a preset reaction rule set according to the composition of the raw material molecules, generating and displaying a three-dimensional reaction network corresponding to a reaction process of the petroleum processing raw material includes:

obtaining a reaction rule set corresponding to the petroleum processing device;

inquiring a reaction rule in a reaction rule set corresponding to the petroleum processing device according to the raw material molecular composition of the petroleum processing raw material;

Determining a first reaction path corresponding to each single molecule in the raw material molecular composition of the petroleum processing raw material according to the reaction rules in the reaction rule set;

and generating and displaying a three-dimensional reaction network corresponding to the reaction process of the petroleum processing raw material according to the first reaction path corresponding to each single molecule in the raw material molecular composition of the petroleum processing raw material.

With reference to the first aspect, in a second possible implementation manner of the first aspect, the first output node includes a spherical node, and the generating and displaying a three-dimensional reaction network corresponding to a reaction process of the petroleum processing raw material includes:

determining a single molecular species of each single molecule in the feedstock molecular composition;

determining a first color corresponding to the single molecular species of each single molecule according to the corresponding relation between the preset single molecular species and the preset first color;

with the first color, each spherical node corresponding to a single molecular species of each single molecule is displayed.

With reference to the first aspect, in a third possible implementation manner of the first aspect, the first output node includes a spherical node, and the generating and displaying a three-dimensional reaction network corresponding to a reaction process of the petroleum processing raw material includes:

Determining the concentration of each single molecule in the composition of the feedstock molecules;

determining the sphere volume corresponding to the single-molecule concentration of each single molecule according to the corresponding relation between the preset single-molecule concentration and the preset sphere volume;

using the sphere volume, spherical nodes corresponding to the concentration of single molecules of each single molecule are displayed.

With reference to the first aspect or the first possible implementation manner of the first aspect, in a fourth possible implementation manner of the first aspect, the generating and displaying a three-dimensional reaction network corresponding to the reaction process of the petroleum processing raw material includes:

determining the second color of each first reaction path corresponding to each reaction rule according to the corresponding relation between the preset reaction rule and the preset second color;

and displaying the first directed edge corresponding to each first reaction path by using the second color.

With reference to the first aspect, in a fifth possible implementation manner of the first aspect, the generating and displaying a three-dimensional reaction network corresponding to the reaction process of the petroleum processing raw material includes:

determining a first reaction rate corresponding to each first reaction path;

determining the first line thickness corresponding to each first reaction path according to the corresponding relation between the preset first reaction rate and the preset first line thickness;

And displaying a first directed edge corresponding to each first reaction path by using the thickness of the first line.

With reference to the first aspect, in a sixth possible implementation manner of the first aspect, the generating and displaying a three-dimensional reaction network corresponding to the reaction process of the petroleum processing raw material includes:

determining a first reaction direction of each first reaction path;

determining a first line direction corresponding to each first reaction path according to the corresponding relation between the preset first reaction direction and the preset first line direction;

and displaying a first directed edge corresponding to each first reaction path by using the first line direction.

With reference to the first aspect, in a seventh possible implementation manner of the first aspect, the method further includes:

receiving a selection operation for a target object in the three-dimensional reaction network, wherein the target object comprises the first output node and the first directed edge;

amplifying and displaying a target object corresponding to the selection operation and/or attribute information of the target object, wherein the attribute information of the first output node comprises one or more of the type, the content, the chemical formula, the structural formula and the concentration of single molecules corresponding to the first output node; the attribute information of the first directed edge comprises one or two of a reaction rule and a reaction rate corresponding to the first directed edge.

With reference to the first aspect, in an eighth possible implementation manner of the first aspect, the method further includes:

receiving a screening request for a target object in the three-dimensional reaction network;

and generating and displaying a screening result corresponding to the screening condition according to the screening condition carried in the screening request.

With reference to the first aspect, in a ninth possible implementation manner of the first aspect, the method further includes:

inquiring a preset reaction rule set according to the composition of the raw material molecules, generating a two-dimensional reaction network corresponding to the reaction process of the petroleum processing raw material, and displaying the two-dimensional reaction network; the two-dimensional reaction network comprises a plurality of second output nodes and a plurality of second directed edges, each second directed edge is connected with two second output nodes, the second output nodes are used for representing each single molecule in the raw material molecular composition and an intermediate product or a final product obtained by reacting the petroleum processing raw material, and the second directed edges are used for representing a second reaction path between every single molecule in the raw material molecular composition and every two intermediate products and final products.

With reference to the first aspect or the ninth possible implementation manner of the first aspect, in a tenth possible implementation manner of the first aspect, the querying a preset reaction rule set according to the composition of the raw material molecules, and generating and displaying a two-dimensional reaction network corresponding to a reaction process of the petroleum processing raw material includes:

Obtaining a reaction rule set corresponding to the petroleum processing device;

determining a second reaction path corresponding to each single molecule in the raw material molecular composition of the petroleum processing raw material according to the reaction rules in the reaction rule set;

and generating and displaying a two-dimensional reaction network corresponding to the reaction process of the petroleum processing raw material according to the second reaction path corresponding to each single molecule in the raw material molecular composition of the petroleum processing raw material.

With reference to the first aspect or the ninth possible implementation manner of the first aspect, in an eleventh possible implementation manner of the first aspect, the second output node includes a circular node, and the generating and displaying a two-dimensional reaction network corresponding to a reaction process of the petroleum processing raw material includes:

determining a third color corresponding to the single molecular species of each single molecule according to the corresponding relation between the preset single molecular species and the preset third color;

with the third color, each circular node corresponding to a single molecular species of each single molecule is displayed.

With reference to the first aspect or the ninth possible implementation manner of the first aspect, in a twelfth possible implementation manner of the first aspect, the second output node includes a circular node, and the generating and displaying a two-dimensional reaction network corresponding to a reaction process of the petroleum processing raw material includes:

determining the circle area corresponding to the single molecule concentration of each single molecule according to the corresponding relation between the preset single molecule concentration and the preset circle area;

with the circular area, circular nodes corresponding to the concentration of single molecules of each single molecule are displayed.

With reference to the first aspect, the ninth possible implementation manner of the first aspect, or the tenth possible implementation manner of the first aspect, in a thirteenth possible implementation manner of the first aspect, the generating and displaying a two-dimensional reaction network corresponding to the reaction process of the petroleum processing raw material includes:

determining a fourth color of each second reaction path corresponding to each reaction rule according to the corresponding relation between the preset reaction rules and the preset fourth color;

and displaying a second directed edge corresponding to each second reaction path by using the fourth color.

With reference to the first aspect or the ninth possible implementation manner of the first aspect, in a fourteenth possible implementation manner of the first aspect, the generating and displaying a two-dimensional reaction network corresponding to the reaction process of the petroleum processing raw material includes:

determining a second reaction rate corresponding to each second reaction path;

determining the second line thickness corresponding to each second reaction path according to the corresponding relation between the preset second reaction rate and the preset second line thickness;

and displaying a second directed edge corresponding to each second reaction path by using the second line thickness.

With reference to the first aspect or the ninth possible implementation manner of the first aspect, in a fifteenth possible implementation manner of the first aspect, the generating and displaying a two-dimensional reaction network corresponding to the reaction process of the petroleum processing raw material includes:

determining a second reaction direction of each second reaction path;

determining a second line direction corresponding to each second reaction path according to the corresponding relation between the preset second reaction direction and the preset second line direction;

and displaying a second directed edge corresponding to each second reaction path by using the second line direction.

With reference to the first aspect or one of the first to eighth possible implementation manners of the first aspect, in a sixteenth possible implementation manner of the first aspect, the generating and displaying a three-dimensional reaction network corresponding to a reaction process of the petroleum processing raw material includes:

and generating a three-dimensional reaction network corresponding to the reaction process of the petroleum processing raw material by utilizing a three-dimensional space structure generation algorithm.

With reference to the first aspect or one of the first to fifteenth possible implementation manners of the first aspect, in a seventeenth possible implementation manner of the first aspect, the determining a feedstock molecular composition of a petroleum processing feedstock of the petroleum processing apparatus includes:

the feedstock molecular composition of the petroleum processing feedstock is determined by one or more of full two-dimensional gas chromatography, four-stage rod gas chromatography-mass spectrometer detection, gas chromatography/field ionization-time of flight mass spectrometry, gas chromatography, near infrared spectroscopy, nuclear magnetic resonance spectroscopy, raman spectroscopy, fourier transform ion cyclotron resonance mass spectrometry, electrostatic field orbitrap mass spectrometry, ion mobility mass spectrometry.

With reference to the first aspect or one of the first to fifteenth possible implementation manners of the first aspect, in an eighteenth possible implementation manner of the first aspect, the kinds of the petroleum processing apparatus include:

Catalytic cracking units, delayed coking units, residuum hydrotreaters, hydrocrackers, diesel hydro-upgrading units, diesel hydrofining units, gasoline hydrofining units, catalytic reforming units and alkylation units; wherein each petroleum processing device corresponds to a set of reaction rules.

With reference to the first aspect or one of the first to fifteenth possible implementation manners of the first aspect, in a nineteenth possible implementation manner of the first aspect, the kind of single molecule includes:

one or more of olefins, alkanes, cycloalkanes, and aromatics.

In a second aspect, an embodiment of the present invention provides a reactive network display system, where the system includes:

a first processing unit for determining a feedstock molecular composition of a petroleum processing feedstock of a petroleum processing apparatus;

the second processing unit is used for inquiring a preset reaction rule set according to the molecular composition of the raw materials, generating a three-dimensional reaction network corresponding to the reaction process of the petroleum processing raw materials and displaying the three-dimensional reaction network; the three-dimensional reaction network comprises a plurality of first output nodes and a plurality of first directed edges, wherein each first directed edge is connected with two first output nodes, the first output nodes are used for representing each single molecule in the raw material molecular composition and an intermediate product or a final product obtained by reacting the petroleum processing raw material, and the first directed edges are used for representing a first reaction path between every single molecule in the raw material molecular composition and every two intermediate products and final products.

With reference to the second aspect, in a first possible implementation manner of the second aspect, the second processing unit is specifically configured to obtain a reaction rule set corresponding to the petroleum processing device; inquiring a reaction rule in a reaction rule set corresponding to the petroleum processing device according to the raw material molecular composition of the petroleum processing raw material; determining a first reaction path corresponding to each single molecule in the raw material molecular composition of the petroleum processing raw material according to the reaction rules in the reaction rule set; and generating and displaying a three-dimensional reaction network corresponding to the reaction process of the petroleum processing raw material according to the first reaction path corresponding to each single molecule in the raw material molecular composition of the petroleum processing raw material.

With reference to the second aspect, in a second possible implementation manner of the second aspect, the system further includes:

a receiving unit, configured to receive a selection operation for a target object in the three-dimensional reaction network, where the target object includes the first output node and the first directed edge;

a third processing unit, configured to enlarge and display a target object corresponding to the selection operation and/or attribute information of the target object, where the attribute information of the first output node includes one or more of a type, a content, a chemical formula, a structural formula, and a concentration of a single molecule corresponding to the first output node; the attribute information of the first directed edge comprises one or two of a reaction rule and a reaction rate corresponding to the first directed edge.

With reference to the second aspect, in a third possible implementation manner of the second aspect, the system further includes:

the fourth processing unit is used for inquiring a preset reaction rule set according to the molecular composition of the raw materials, generating a two-dimensional reaction network corresponding to the reaction process of the petroleum processing raw materials and displaying the two-dimensional reaction network; the two-dimensional reaction network comprises a plurality of second output nodes and a plurality of second directed edges, each second directed edge is connected with two second output nodes, the second output nodes are used for representing each single molecule in the raw material molecular composition and an intermediate product or a final product obtained by reacting the petroleum processing raw material, and the second directed edges are used for representing a second reaction path between every single molecule in the raw material molecular composition and every two intermediate products and final products.

In a third aspect, the present invention provides a reactive network display device comprising a processor, a memory; the processor is configured to execute the reactive network display program stored in the memory, so as to implement the reactive network display method according to the first aspect.

In a fourth aspect, the present invention provides a computer-readable storage medium storing one or more programs executable by one or more processors to implement the reactive network display method according to the first aspect.

Compared with the prior art, the technical scheme provided by the embodiment of the invention has the following advantages:

according to the method provided by the embodiment of the invention, the raw material molecular composition of the petroleum processing raw material of the petroleum processing device is determined; inquiring a preset reaction rule set according to the molecular composition of the raw materials, generating a three-dimensional reaction network corresponding to the reaction process of the petroleum processing raw materials, and displaying the three-dimensional reaction network; the three-dimensional reaction network comprises a plurality of first output nodes and a plurality of first directed edges, wherein each first directed edge is connected with two first output nodes, the first output nodes are used for representing each single molecule in the raw material molecular composition and an intermediate product or a final product obtained by reacting the petroleum processing raw material, and the first directed edges are used for representing a first reaction path between every single molecule in the raw material molecular composition and every two intermediate products and final products. According to the invention, a preset reaction rule set is inquired according to the molecular composition of the raw materials, a three-dimensional reaction network corresponding to the reaction process of the petroleum processing raw materials is generated and displayed, the data visualization of the reaction network is realized, the information of each output node and each directed edge in the reaction process can be displayed according to the reaction network, and the distribution rule of each first output node and each first directed edge can be displayed more intuitively.

Drawings

The accompanying drawings, which are incorporated in and constitute a part of this specification, illustrate embodiments consistent with the invention and together with the description, serve to explain the principles of the invention.

In order to more clearly illustrate the embodiments of the invention or the technical solutions of the prior art, the drawings which are used in the description of the embodiments or the prior art will be briefly described, and it will be obvious to a person skilled in the art that other drawings can be obtained from these drawings without inventive effort.

FIG. 1 is a schematic flow chart of a method for displaying a reaction network according to an embodiment of the present invention;

FIG. 2 is a schematic structural diagram of a reactive network display system according to an embodiment of the present invention;

fig. 3 is a schematic structural diagram of a reactive network display device according to an embodiment of the present invention.

Detailed Description

For the purpose of making the objects, technical solutions and advantages of the embodiments of the present invention more apparent, the technical solutions of the embodiments of the present invention will be clearly and completely described below with reference to the accompanying drawings in the embodiments of the present invention, and it is apparent that the described embodiments are some embodiments of the present invention, but not all embodiments of the present invention. All other embodiments, which can be made by those skilled in the art based on the embodiments of the invention without making any inventive effort, are intended to be within the scope of the invention.

A server implementing various embodiments of the present invention will now be described with reference to the accompanying drawings. In the following description, suffixes such as "module", "component", or "unit" for representing elements are used only for facilitating the description of the present invention, and are not of specific significance per se. Thus, "module" and "component" may be used in combination.

The embodiment of the invention provides a reaction network display method, as shown in fig. 1, which can comprise the following steps:

s101, determining the raw material molecular composition of the petroleum processing raw material of the petroleum processing device.

In this example, the composition of the raw material molecules of the raw material is information on various molecules (single molecules) in the raw material. For example: the raw materials comprise single molecules, the types of the single molecules, the volume, the content, the concentration and the like of each single molecule.

In this example, the variety of single molecules in the composition of the feedstock molecules includes, but is not limited to, the following three types:

single molecules in the first, actual production process, including monomeric hydrocarbon molecules obtained by analytical detection;

the second, by analyzing the virtual components that characterize, for the complex system of components such as petroleum, it is very difficult to express a certain substance in the system in the actual simulation process, so that a lumped method is adopted to cut the petroleum component into multiple virtual components according to the distillation curve, and the virtual components are composed of different substances, but the weighted average of the virtual components is considered to be consistent, and can be treated as one component.

For example, a fraction obtained by cutting crude oil every 5 degrees is used as a virtual component.

Third, lumped molecules obtained by analytical characterization, in this example, individual single molecules (molecules) in the molecular composition are characterized using SOL-structured-lumped (architecture-Oriented lumped) based molecular characterization methods. The molecular characterization method based on SOL can utilize 24 groups to characterize the architecture of hydrocarbon molecules.

Further, SOL belongs to the lumped on the molecular scale, so that the number of molecules in a practical system is reduced from millions to thousands, and the complexity of molecular characterization is greatly reduced. The SOL-based molecular characterization method can represent not only alkanes, cycloalkanes, up to a complex aromatic hydrocarbon architecture containing 50-60 carbon atoms, but also olefins or cycloalkenes as intermediate products or secondary reaction products, and in addition, heteroatom compounds containing sulfur, nitrogen, oxygen, etc. are also considered.

In this embodiment, the feedstock molecular composition of the petroleum processing feedstock may be determined by one or more of full two-dimensional gas chromatography, four-stage rod gas chromatography-mass spectrometer detection, gas chromatography/field ionization-time-of-flight mass spectrometry, gas chromatography, near infrared spectroscopy, nuclear magnetic resonance spectroscopy, raman spectroscopy, fourier transform ion cyclotron resonance mass spectrometry, electrostatic field orbitrap mass spectrometry, ion mobility mass spectrometry.

Of course, the feedstock molecular composition of petroleum processing feedstock may also be determined by other means, such as: the feedstock molecular composition of the petroleum processing feedstock is determined by means of ASTM D2425, SH/T0606 and/or ASTM D8144-18.

In an embodiment of the present invention, the types of the petroleum processing apparatus include:

In this embodiment, the types of single molecules include: one or more of olefins, alkanes, cycloalkanes, and aromatics.

S102, inquiring a preset reaction rule set according to the molecular composition of the raw materials, generating a three-dimensional reaction network corresponding to the reaction process of the petroleum processing raw materials, and displaying the three-dimensional reaction network.

In this embodiment, the three-dimensional reaction network includes a plurality of first output nodes and a plurality of first directed edges, where each first directed edge connects two first output nodes, the first output nodes are used to represent each single molecule in the raw material molecular composition, an intermediate product or a final product obtained by reacting the petroleum processing raw material, and the first directed edges are used to represent a first reaction path between every single molecule in the raw material molecular composition, every intermediate product and every final product.

In this example, a three-dimensional reaction network corresponding to the reaction process of the petroleum processing raw material was generated and displayed by:

obtaining a reaction rule set corresponding to the petroleum processing device;

According to the invention, a preset reaction rule set is inquired according to the molecular composition of the raw materials, a three-dimensional reaction network corresponding to the reaction process of the petroleum processing raw materials is generated and displayed, the data visualization of the reaction network is realized, the information of each output node and each directed edge in the reaction process can be displayed according to the reaction network, and the distribution rule of each output node and each directed edge can be displayed more intuitively.

In the embodiment of the invention, a three-dimensional space structure generating algorithm is utilized to generate a three-dimensional reaction network corresponding to the reaction process of the petroleum processing raw material, wherein the three-dimensional space structure generating algorithm comprises a force-oriented layout algorithm, and the arrangement and layout of each first output node and each first directed edge in the three-dimensional space in the three-dimensional reaction network can be adjusted through the force-oriented layout algorithm, for example, the space distance between each first output node is adjusted, so that the distribution rule of each first output node is more visual. When dragging is performed for a first output node or a first directed edge in the three-dimensional reaction network, the distribution positions of the first output node and the first directed edge, and the distance between the first output node and the first directed edge can be rearranged by using a force-directed layout algorithm.

In this embodiment, the three-dimensional reaction network is displayed in various ways, and the following description will be made in detail.

(1) Color display mode of the first output node:

In this embodiment, the first colors of the first output nodes corresponding to different types of single molecules (e.g., alkene, alkane, cycloalkane, and aromatic hydrocarbon) in the three-dimensional reaction network are different, for example, the first color of the first output node corresponding to alkene is red; the first color of the first output node corresponding to the alkane is green; the first color of the first output node corresponding to the cycloalkane is pink, etc., and only this is described in the embodiments of the present invention, and those skilled in the art should understand that it is also possible to display different types of first output nodes in the three-dimensional reaction network in the present embodiment with different first colors in other colors.

(2) The volume size display mode of the first output node: the first output node comprises a spherical node by determining a concentration of a single molecule of each single molecule in the composition of the feedstock molecules; determining the sphere volume corresponding to the single-molecule concentration of each single molecule according to the corresponding relation between the preset single-molecule concentration and the preset sphere volume; using the sphere volume, spherical nodes corresponding to the concentration of single molecules of each single molecule are displayed.

For example, as the concentration of the single molecules decreases, the sphere volume of the corresponding first output node (spherical node) also gradually decreases, as the concentration of the single molecules increases, the sphere volume of the corresponding first output node (spherical node) also gradually increases, and the sphere volume of the first output node corresponding to the single molecule with a high concentration is larger than the volume of the first output node corresponding to the single molecule with a low concentration.

(3) Color display mode of the first reaction path:

In this embodiment, the second colors of the first directional edges corresponding to the different first reaction paths in the three-dimensional reaction network are different, and the second colors may include black, yellow, purple, etc., which only illustrate the embodiments of the present invention, and those skilled in the art should know that the first directional edges corresponding to the different first reaction paths in the three-dimensional reaction network in this embodiment may also be displayed in other colors in different second colors.

(4) Line thickness display mode of the first reaction path:

determining a first reaction rate corresponding to each first reaction path;

For example, the line thickness of the first directed edge corresponding to the first reaction path having the first reaction rate is smaller than the line thickness of the first directed edge corresponding to the first reaction path having the first reaction rate.

(5) Line direction display mode of the first reaction path:

determining a first reaction direction of each first reaction path;

For example, the first stripe direction of the first directional edge corresponding to the first reaction path coincides with the first reaction direction, or the first stripe direction of the first directional edge corresponding to the first reaction path is opposite to the first reaction direction, and in this embodiment, the first stripe direction coincides with the first reaction direction.

(6) First reaction path, first output node's enlarged display mode:

For example, a certain first output node in the three-dimensional reaction network is double-clicked, the first output node is amplified and displayed, and other first output nodes are hidden; for another example, a first reaction path in the three-dimensional reaction network is double-clicked, the first reaction path is displayed in an enlarged manner, and other first reaction paths are hidden.

(7) Displaying according to the input screening conditions:

For example, when screening the first output node, screening may be performed according to the type, concentration, and content of the single molecule corresponding to the first output node; when the first directed edge is screened, screening can be performed according to a reaction rule and a reaction type corresponding to a first reaction path corresponding to the first directed edge.

For another example, a plurality of target output nodes are screened out by setting a first-level screening condition, and target directed edges connecting the plurality of target output nodes, wherein the target output nodes can be reactants, intermediate products and final products, and the target directed edges represent reaction paths for performing chemical reactions among the reactants, the intermediate products and the final products.

For another example, a second-stage screening condition is set on the basis of the first-stage screening condition, and nodes connected to the plurality of target output nodes, and reaction paths between the nodes are screened out.

Any one of reactants, intermediate products and final products can be used as screening conditions in the embodiment of the invention.

It will be understood, of course, that the multi-stage screening conditions may be set as desired, and that this embodiment is for illustration only and not for limitation.

The reaction network display method provided by the implementation includes generating a two-dimensional reaction network for display in addition to the three-dimensional reaction network generation for display, and specifically includes the following steps:

According to the molecular composition of the raw materials, inquiring a preset reaction rule set to generate and display a two-dimensional reaction network corresponding to the reaction process of the petroleum processing raw materials, wherein the method comprises the following steps of:

Obtaining a reaction rule set corresponding to the petroleum processing device;

In this embodiment, the two-dimensional reaction network also includes a plurality of display modes, and the following details are described below:

<1> color display mode of second output node:

<2> the area size display mode of the second output node:

the second output node comprises a circular node by determining the concentration of each single molecule in the composition of the feedstock molecules; determining the circle area corresponding to the single molecule concentration of each single molecule according to the corresponding relation between the preset single molecule concentration and the preset circle area; with the circular area, circular nodes corresponding to the concentration of single molecules of each single molecule are displayed.

For example, as the concentration of the single molecules decreases, the circle area of the corresponding second output node also gradually decreases, as the concentration of the single molecules increases, the circle area of the corresponding second output node also gradually increases, and the circle area of the second output node corresponding to the single molecule with high concentration is larger than the circle area of the second output node corresponding to the single molecule with low concentration.

<3> color display mode of the second reaction path:

<4> line thickness display method of the second reaction path:

determining a second reaction rate corresponding to each second reaction path;

For example, the line thickness of the second directed edge corresponding to the second reaction path having the second reaction rate being faster than the line thickness of the second directed edge corresponding to the second reaction path having the second reaction rate being slower.

<5> line direction display mode of the second reaction path:

determining a second reaction direction of each second reaction path;

For example, the second line direction of the second directional edge corresponding to the second reaction path coincides with the second reaction direction, or the second line direction of the second directional edge corresponding to the second reaction path is opposite to the second reaction direction, and in this embodiment, the second line direction coincides with the second reaction direction.

Referring to fig. 2, an embodiment of the present invention provides a reactive network display system, the system including: a first processing unit 11 and a second processing unit 12.

In the present embodiment, the first processing unit 11 is used for determining the raw material molecular composition of the petroleum processing raw material of the petroleum processing apparatus.

In this embodiment, the second processing unit 12 is configured to query a preset reaction rule set according to the molecular composition of the raw material, generate and display a three-dimensional reaction network corresponding to the reaction process of the petroleum processing raw material; the three-dimensional reaction network comprises a plurality of first output nodes and a plurality of first directed edges, wherein each first directed edge is connected with two first output nodes, the first output nodes are used for representing each single molecule in the raw material molecular composition and an intermediate product or a final product obtained by reacting the petroleum processing raw material, and the first directed edges are used for representing a first reaction path between every single molecule in the raw material molecular composition and every two intermediate products and final products.

In this embodiment, the second processing unit is specifically configured to obtain a reaction rule set corresponding to the petroleum processing device; inquiring a reaction rule in a reaction rule set corresponding to the petroleum processing device according to the raw material molecular composition of the petroleum processing raw material; determining a first reaction path corresponding to each single molecule in the raw material molecular composition of the petroleum processing raw material according to the reaction rules in the reaction rule set; and generating and displaying a three-dimensional reaction network corresponding to the reaction process of the petroleum processing raw material according to the first reaction path corresponding to each single molecule in the raw material molecular composition of the petroleum processing raw material.

In this embodiment, the first output node comprises a spherical node.

In this embodiment, the second processing unit is specifically configured to determine a single molecular species of each single molecule in the composition of the raw material molecule; determining a first color corresponding to the single molecular species of each single molecule according to the corresponding relation between the preset single molecular species and the preset first color; with the first color, each spherical node corresponding to a single molecular species of each single molecule is displayed.

In this embodiment, the second processing unit is specifically configured to determine a single molecule concentration of each single molecule in the composition of the raw material molecule; determining the sphere volume corresponding to the single-molecule concentration of each single molecule according to the corresponding relation between the preset single-molecule concentration and the preset sphere volume; using the sphere volume, spherical nodes corresponding to the concentration of single molecules of each single molecule are displayed.

In this embodiment, the second processing unit is specifically configured to determine, according to a correspondence between a preset reaction rule and a preset second color, a second color of each first reaction path corresponding to each reaction rule; and displaying the first directed edge corresponding to each first reaction path by using the second color.

In this embodiment, the second processing unit is specifically configured to determine a first reaction rate corresponding to each first reaction path; determining the first line thickness corresponding to each first reaction path according to the corresponding relation between the preset first reaction rate and the preset first line thickness; and displaying a first directed edge corresponding to each first reaction path by using the thickness of the first line.

In this embodiment, the second processing unit is specifically configured to determine a first reaction direction of each of the first reaction paths; determining a first line direction corresponding to each first reaction path according to the corresponding relation between the preset first reaction direction and the preset first line direction; and displaying a first directed edge corresponding to each first reaction path by using the first line direction.

In this embodiment, the system further includes: a receiving unit and a third processing unit.

In this embodiment, a receiving unit is configured to receive a selection operation for a target object in the three-dimensional reaction network, where the target object includes the first output node and the first directed edge;

in this embodiment, the third processing unit is configured to enlarge and display a target object corresponding to the selection operation and/or attribute information of the target object, where the attribute information of the first output node includes one or more of a type, a content, a chemical formula, a structural formula, and a concentration of a single molecule corresponding to the first output node; the attribute information of the first directed edge comprises one or two of a reaction rule and a reaction rate corresponding to the first directed edge.

In this embodiment, the receiving unit is further configured to receive a screening request for a target object in the three-dimensional reaction network.

In this embodiment, the third processing unit is further configured to generate, according to a screening condition carried in the screening request, a screening result corresponding to the screening condition, and display the screening result.

In this embodiment, the system further includes: and a fourth processing unit.

In this embodiment, the fourth processing unit is configured to query a preset reaction rule set according to the composition of the raw material molecules, generate a two-dimensional reaction network corresponding to the reaction process of the petroleum processing raw material, and display the two-dimensional reaction network; the two-dimensional reaction network comprises a plurality of second output nodes and a plurality of second directed edges, each second directed edge is connected with two second output nodes, the second output nodes are used for representing each single molecule in the raw material molecular composition and an intermediate product or a final product obtained by reacting the petroleum processing raw material, and the second directed edges are used for representing a second reaction path between every single molecule in the raw material molecular composition and every two intermediate products and final products.

In this embodiment, the fourth processing unit is specifically configured to obtain a reaction rule set corresponding to the petroleum processing device; inquiring a reaction rule in a reaction rule set corresponding to the petroleum processing device according to the raw material molecular composition of the petroleum processing raw material; determining a second reaction path corresponding to each single molecule in the raw material molecular composition of the petroleum processing raw material according to the reaction rules in the reaction rule set; and generating and displaying a two-dimensional reaction network corresponding to the reaction process of the petroleum processing raw material according to the second reaction path corresponding to each single molecule in the raw material molecular composition of the petroleum processing raw material.

In this embodiment, the fourth processing unit is specifically configured to determine a single molecular species of each single molecule in the composition of the raw material molecules; determining a third color corresponding to the single molecular species of each single molecule according to the corresponding relation between the preset single molecular species and the preset third color; with the third color, each circular node corresponding to a single molecular species of each single molecule is displayed.

In this embodiment, the fourth processing unit is specifically configured to determine a single molecule concentration of each single molecule in the composition of the raw material molecules; determining the circle area corresponding to the single molecule concentration of each single molecule according to the corresponding relation between the preset single molecule concentration and the preset circle area; with the circular area, circular nodes corresponding to the concentration of single molecules of each single molecule are displayed.

In this embodiment, the fourth processing unit is specifically configured to determine, according to a correspondence between preset reaction rules and preset fourth colors, a fourth color of each of the second reaction paths corresponding to each of the reaction rules; and displaying a second directed edge corresponding to each second reaction path by using the fourth color.

In this embodiment, the fourth processing unit is specifically configured to determine a second reaction rate corresponding to each second reaction path; determining the second line thickness corresponding to each second reaction path according to the corresponding relation between the preset second reaction rate and the preset second line thickness; and displaying a second directed edge corresponding to each second reaction path by using the second line thickness.

In this embodiment, the fourth processing unit is specifically configured to determine a second reaction direction of each of the second reaction paths; determining a second line direction corresponding to each second reaction path according to the corresponding relation between the preset second reaction direction and the preset second line direction; and displaying a second directed edge corresponding to each second reaction path by using the second line direction.

In this embodiment, the second processing unit is specifically configured to generate a three-dimensional reaction network corresponding to a reaction process of the petroleum processing raw material by using a three-dimensional spatial structure generation algorithm.

In this embodiment, the first processing unit is specifically configured to determine a feedstock molecular composition of the petroleum processing feedstock by one or more of full two-dimensional gas chromatography, four-stage rod gas chromatography-mass spectrometer detection, gas chromatography/field ionization-time-of-flight mass spectrometry, 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.

In this embodiment, the types of the petroleum processing apparatus include: catalytic cracking units, delayed coking units, residuum hydrotreaters, hydrocrackers, diesel hydro-upgrading units, diesel hydrofining units, gasoline hydrofining units, catalytic reforming units and alkylation units; wherein each petroleum processing device corresponds to a set of reaction rules.

Referring to fig. 3, the embodiment of the present invention further provides a reactive network display device, where the reactive network display device includes a processor 210 and a memory 211; the processor 210 is configured to execute the reactive network display program stored in the memory 211, so as to implement the reactive network display method according to each method embodiment, for example, including the following steps:

inquiring a preset reaction rule set according to the molecular composition of the raw materials, generating a three-dimensional reaction network corresponding to the reaction process of the petroleum processing raw materials, and displaying the three-dimensional reaction network;

the three-dimensional reaction network comprises a plurality of first output nodes and a plurality of first directed edges, wherein each first directed edge is connected with two first output nodes, the first output nodes are used for representing each single molecule in the raw material molecular composition and an intermediate product or a final product obtained by reacting the petroleum processing raw material, and the first directed edges are used for representing a first reaction path between every single molecule in the raw material molecular composition and every two intermediate products and final products.

Embodiments of the present invention also provide a computer readable storage medium storing one or more programs executable by one or more processors to implement a reactive network display method according to embodiments of the present invention, for example, including:

For convenience of description, the above devices are described as being functionally divided into various units, respectively. Of course, the functions of each element may be implemented in the same piece or pieces of software and/or hardware when implementing the present invention.

In this specification, each embodiment is described in a progressive manner, and identical and similar parts of each embodiment are all referred to each other, and each embodiment mainly describes differences from other embodiments. In particular, for apparatus or system embodiments, since they are substantially similar to method embodiments, the description is relatively simple, with reference to the description of method embodiments in part. The apparatus and system embodiments described above are merely illustrative, wherein the elements illustrated as separate elements may or may not be physically separate, and the elements shown as elements may or may not be physical elements, may be located in one place, or may be distributed over a plurality of network elements. Some or all of the modules may be selected according to actual needs to achieve the purpose of the solution of this embodiment. Those of ordinary skill in the art will understand and implement the present invention without undue burden.

It should be noted that in this document, relational terms such as "first" and "second" and the like are used solely to distinguish one entity or action from another entity or action without necessarily requiring or implying any actual such relationship or order between such entities or actions. Moreover, the terms "comprises," "comprising," or any other variation thereof, are intended to cover a non-exclusive inclusion, such that a process, method, article, or apparatus that comprises a list of elements does not include only those elements but may include other elements not expressly listed or inherent to such process, method, article, or apparatus. Without further limitation, an element defined by the phrase "comprising one … …" does not exclude the presence of other like elements in a process, method, article, or apparatus that comprises the element.

The foregoing is only a specific embodiment of the invention to enable those skilled in the art to understand or practice the invention. Various modifications to these embodiments will be readily apparent to those skilled in the art, and the generic principles defined herein may be applied to other embodiments without departing from the spirit or scope of the invention. Thus, the present invention is not intended to be limited to the embodiments shown herein but is to be accorded the widest scope consistent with the principles and novel features disclosed herein.

Claims

1. A reactive network display method, the method comprising:

inquiring a preset reaction rule set according to the molecular composition of the raw materials, generating a three-dimensional reaction network corresponding to the reaction process of the petroleum processing raw materials, and displaying the three-dimensional reaction network; the three-dimensional reaction network comprises a plurality of first output nodes and a plurality of first directed edges, wherein each first directed edge is connected with two first output nodes, the first output nodes are used for representing each single molecule in the raw material molecular composition and an intermediate product or a final product obtained by reacting the petroleum processing raw material, and the first directed edges are used for representing a first reaction path between every single molecule in the raw material molecular composition and every two intermediate products and final products;

the method for inquiring the preset reaction rule set according to the molecular composition of the raw materials to generate and display a three-dimensional reaction network corresponding to the reaction process of the petroleum processing raw materials comprises the following steps:

obtaining a reaction rule set corresponding to the petroleum processing device;

according to the first reaction path corresponding to each single molecule in the raw material molecular composition of the petroleum processing raw material, generating and displaying a three-dimensional reaction network corresponding to the reaction process of the petroleum processing raw material;

the first output node comprises a spherical node, the three-dimensional reaction network corresponding to the reaction process of the petroleum processing raw material is generated and displayed, and the method comprises the following steps:

displaying respective spherical nodes corresponding to single molecular species of each single molecule using the first color;

Displaying spherical nodes corresponding to the concentration of single molecules of each single molecule by using the volume of the sphere;

the three-dimensional reaction network corresponding to the reaction process for generating the petroleum processing raw material is displayed, and comprises the following steps:

displaying a first directed edge corresponding to each first reaction path by using the second color;

determining a first reaction rate corresponding to each first reaction path;

2. The method of claim 1, wherein the generating and displaying the three-dimensional reaction network corresponding to the reaction process of the petroleum processing feedstock comprises:

determining a first reaction direction of each first reaction path;

3. The method according to claim 1, wherein the method further comprises:

4. A method according to claim 3, characterized in that the method further comprises:

5. The method according to claim 1, wherein the method further comprises:

6. The method according to claim 5, wherein the querying a preset reaction rule set according to the molecular composition of the raw materials to generate and display a two-dimensional reaction network corresponding to the reaction process of the petroleum processing raw materials comprises:

Obtaining a reaction rule set corresponding to the petroleum processing device;

7. The method of claim 5, wherein the second output node comprises a circular node, wherein the generating and displaying the two-dimensional reaction network corresponding to the reaction process of the petroleum processing feedstock comprises:

8. The method of claim 5, wherein the second output node comprises a circular node, wherein the generating and displaying the two-dimensional reaction network corresponding to the reaction process of the petroleum processing feedstock comprises:

9. The method according to claim 5 or 6, wherein the generating and displaying the two-dimensional reaction network corresponding to the reaction process of the petroleum processing raw material comprises:

10. The method of claim 5, wherein the generating and displaying a two-dimensional reaction network corresponding to the reaction process of the petroleum processing feedstock comprises:

Determining a second reaction rate corresponding to each second reaction path;

11. The method of claim 5, wherein the generating and displaying a two-dimensional reaction network corresponding to the reaction process of the petroleum processing feedstock comprises:

determining a second reaction direction of each second reaction path;

12. The method of claim 1, wherein the generating and displaying the three-dimensional reaction network corresponding to the reaction process of the petroleum processing feedstock comprises:

13. The method of claim 1, wherein said determining the feedstock molecular composition of the petroleum processing feedstock of the petroleum processing plant comprises:

14. The method of claim 1, wherein the types of petroleum processing equipment include:

15. The method of claim 1, wherein the single molecule species comprises:

one or more of olefins, alkanes, cycloalkanes, and aromatics.

16. A reactive network display system for use in the reactive network display method of any one of claims 1-15, the system comprising:

17. The system of claim 16, wherein the second processing unit is specifically configured to obtain a set of reaction rules corresponding to the petroleum processing device; inquiring a reaction rule in a reaction rule set corresponding to the petroleum processing device according to the raw material molecular composition of the petroleum processing raw material; determining a first reaction path corresponding to each single molecule in the raw material molecular composition of the petroleum processing raw material according to the reaction rules in the reaction rule set; and generating and displaying a three-dimensional reaction network corresponding to the reaction process of the petroleum processing raw material according to the first reaction path corresponding to each single molecule in the raw material molecular composition of the petroleum processing raw material.

18. The system of claim 16, wherein the system further comprises:

19. The system of claim 16, wherein the system further comprises:

20. A reaction network display device, characterized in that the reaction network display device comprises a processor and a memory; the processor is configured to execute a reactive network display program stored in the memory to implement the reactive network display method of any one of claims 1 to 11.

21. A computer-readable storage medium, wherein the computer-readable storage medium stores one or more programs executable by one or more processors to implement the reactive network display method of any of claims 1-11.