CN115831250B - Delayed coking reaction model construction method and device, storage medium and equipment - Google Patents
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Abstract
The disclosure relates to a delayed coking reaction model construction method and device, a storage medium and equipment, wherein the method comprises the following steps: obtaining a raw material molecule composition matrix of a delayed coking reaction; generating reaction paths corresponding to each molecule according to the structure-oriented lumped representation of each raw material molecule, comparing the product molecules of each reaction path with a preset subset, and reserving the product molecules existing in the preset subset and the corresponding reaction paths thereof; predicting a product molecular composition matrix of the delayed coking reaction according to the content of each raw material molecule; according to the attribute parameters of each product molecule, the attribute parameters of the product are predicted, the difference value between the attribute parameters of the predicted product and the actual reaction product is taken as an optimization target, the reaction rate corresponding to the delayed coking reaction rule is adjusted, the reaction rate meeting the optimization target condition is obtained, and the influence of the operating condition and the blended raw materials on the distribution of the coking product can be quantitatively described from the molecular level.
Description
Technical Field
The disclosure relates to the technical field of molecular oil refining, in particular to a delayed coking reaction model construction method and device, a storage medium and equipment.
Background
Delayed coking is an important process for poor quality heavy oils, especially residuum. The delayed coking process has the advantages of wide application range of raw oil, small technical risk, low operation cost and the like, and can convert various heavy and inferior residual oil into light oil products with higher economic benefit and superior petroleum coke, so that the delayed coking process is commonly adopted by various large oil refining enterprises. With the increasing prominence of the problems of heavy and poor quality of crude oil, the scale of the delayed coking processing residual oil is continuously increased.
However, due to the complexity of the composition of the delayed coking raw materials and the reaction process, it is difficult to quantitatively describe the influence mechanism of changing the operation conditions and preparing the raw materials on the distribution of coking products, so that the process optimization has a certain blindness, and the experience is needed to a great extent. Conventional lumped kinetic models have difficulty predicting the effect of feedstock oil property changes on coking reactions from a molecular level.
In recent years, with the progress of computing technology, a computer is used for simulating the petroleum processing reaction process, so that the actual cost of process optimization can be reduced, the test workload can be reduced, and the informatization level of the chemical production process can be improved. The structure-oriented lumped method-based delayed coking reaction kinetic model is built, only a few documents report at present, but the programming process is complex, the calculated amount is large, and a modeling method of a system is not formed yet.
Disclosure of Invention
In order to solve the technical problems described above or at least partially solve the technical problems described above, embodiments of the present disclosure provide a delayed coking reaction model construction method and apparatus, a storage medium, and a device.
In a first aspect, embodiments of the present disclosure provide a delayed coking reaction model building method, the method comprising:
obtaining a raw material molecule composition matrix of a delayed coking reaction, wherein the raw material molecule composition matrix comprises structure-oriented lumped representation and content of each raw material molecule;
generating a reaction path corresponding to each molecule according to the structure-oriented lumped representation of each raw material molecule based on a preset delayed coking reaction rule, obtaining a product molecule of each reaction path, comparing the product molecule with a preset molecular set, and only retaining the product molecules existing in the preset molecular set and the corresponding reaction paths thereof as effective product molecules and effective reaction paths, wherein the delayed coking reaction rule comprises the change of the structure-oriented lumped representation of each raw material molecule in the corresponding reaction path thereof;
predicting a product molecule composition matrix of the delayed coking reaction according to the content of each raw material molecule based on a reaction dynamics equation set and a reaction time length corresponding to each effective reaction path, wherein the product molecule composition matrix comprises a structure-oriented lumped representation and content of each product molecule;
According to the attribute parameters of each product molecule, predicting the attribute parameters of the product, taking the difference value between the attribute parameters of the predicted product and the actual reaction product as an optimization target, adjusting the reaction rate corresponding to the delayed coking reaction rule, and taking the reaction rate meeting the optimization target condition as a delayed coking reaction model parameter.
In one possible embodiment, the process further comprises obtaining a feedstock molecular composition for a delayed coking reaction specifically as follows:
obtained from the molecular composition of crude oil by means of a cleavage process, or,
the molecular composition of the primary or secondary processed product obtained after distillative cleavage of crude oil, wherein the molecular composition of the processed product is determined by one or more of gas chromatography-mass spectrometry, full two-dimensional gas chromatography, four-stage rod gas chromatography-mass spectrometer detection, gas chromatography or field ionization-time of flight mass spectrometry, near infrared spectrometry, nuclear magnetic resonance spectrometry, raman spectrometry, fourier transform ion cyclotron resonance spectrometry, electrostatic field orbitrap mass spectrometry, and ion mobility mass spectrometry.
In one possible embodiment, the obtaining a feedstock molecule composition matrix for a delayed coking reaction comprises:
Vector characterization is carried out on each raw material molecule based on a structure-oriented lumped molecule characterization method, so that structure-oriented lumped representation of each raw material molecule is obtained;
directing the structure of each feedstock molecule to a lumped representation and content as a complete vector;
and combining the complete vectors of all the raw material molecules of the delayed coking reaction into a molecular composition matrix of the delayed coking reaction raw material.
In one possible embodiment, the reaction time period is the time period during which the feedstock is resident in the coke drum apparatus.
In one possible implementation manner, the generating reaction paths corresponding to each molecule according to the structure-oriented lumped representation of each raw material molecule based on the preset delayed coking reaction rule, obtaining product molecules of each reaction path, comparing the product molecules with a preset molecular set, and only retaining the product molecules existing in the preset molecular set and the corresponding reaction paths thereof as effective product molecules and effective reaction paths, wherein the method comprises the following steps:
traversing the structure guide lumped representation of each raw material molecule according to a preset delayed coking reaction rule to obtain a reaction path corresponding to each raw material molecule;
a second step of comparing each product molecule of the reaction path with a preset molecular set;
A third step of reserving product molecules existing in a preset molecular set and corresponding reaction paths thereof;
a fourth step of returning the reserved product molecules as raw material molecules to the first step until all the product molecules do not accord with any one of the preset delayed coking reaction rules;
and a fifth step of summarizing all the product molecules and reaction paths of the first to fourth steps as effective product molecules and effective reaction paths.
In one possible embodiment, the preset delayed coking reaction rule includes an aromatic condensation reaction rule, an aromatic dehydrogenation reaction rule, an aromatic dealkylation reaction rule, an aromatic side chain breaking reaction rule, a cycloalkane ring opening reaction rule, a cycloalkane dehydrogenation aromatization reaction rule, an alkene aromatization reaction rule, a diene synthesis reaction rule, an alkene cleavage reaction rule, an alkene dehydrogenation reaction rule, an alkane cracking reaction rule, an alkane dehydrogenation reaction rule, an oxygenate carbon monoxide removal reaction rule, an oxygenate carbon dioxide removal reaction rule, and a sulfur-containing compound desulfurization reaction rule.
In one possible embodiment, the set of reaction kinetics equations corresponding to the effective reaction path and the reaction duration are determined by:
Determining a reaction rule corresponding to an effective reaction path, wherein the reaction rule is preset with a reaction duration and a reaction dynamics equation set matched with the reaction duration;
the reaction kinetics equation set of the effective reaction path and the reaction time length are consistent with the reaction rule corresponding to the effective reaction path.
In one possible embodiment, the predicting a composition matrix of product molecules of the delayed coking reaction based on the set of reaction kinetics equations corresponding to each effective reaction path and the reaction duration according to the content of each raw material molecule includes:
for each effective reaction path, determining the raw material molecules and the product molecules of the current effective reaction path;
substituting the reaction time length of the current effective reaction path and the content of the raw material molecules into a reaction kinetic equation set to obtain the content of the raw material molecules and the product molecules of the current effective reaction path;
summarizing the contents of raw material molecules and product molecules of all effective reaction paths, and determining the contents of all summarized product molecules of all effective reaction paths;
directing the structure of each summarized product molecule to a lumped representation and content as a complete vector;
the complete vectors of all summarized product molecules of the delayed coking reaction are combined into a product molecule composition matrix of the delayed coking reaction.
In one possible embodiment, the attribute parameters include physical parameters, and predicting the attribute parameters of the product according to the attribute parameters of each product molecule includes:
determining the product molecules contained in each product;
and obtaining the content and physical parameters of each product according to the content and physical parameters of each product molecule in each product.
In one possible embodiment, the attribute parameter is at least one of a physical property parameter and a content.
In one possible embodiment, the physical property parameter comprises at least one of gas composition, gasoline density, viscosity, family composition, octane number, diesel density, diesel viscosity, cetane index of diesel, wax oil density, wax oil viscosity, metal content of wax oil.
In one possible embodiment, the reaction rate constant corresponding to the delayed coking reaction rule is adjusted by the following expression:
wherein ,kfor a reaction rate constant that is a rule of reaction,k a 、k b 、k c respectively the reaction kinetic parameters related to the catalyst, the reaction temperature and the reaction pressure,Ein order to react the activation energy of the reaction,Tin order to achieve the reaction temperature, the reaction mixture,pin order to achieve the reaction pressure, the reaction mixture,p k is a constant of the reaction pressure affecting the reaction rate.
In a second aspect, embodiments of the present disclosure provide a delayed coking reaction model building apparatus, comprising:
the acquisition module is used for acquiring a raw material molecule composition matrix of the delayed coking reaction, wherein the raw material molecule composition matrix comprises structure-oriented lumped representation and content of each raw material molecule;
the generation module is used for generating a reaction path corresponding to each molecule according to the structure-oriented lumped representation of each raw material molecule based on a preset delayed coking reaction rule, obtaining a product molecule of each reaction path, comparing the product molecule with a preset molecular set, and only retaining the product molecule existing in the preset molecular set and the corresponding reaction path thereof as an effective product molecule and an effective reaction path, wherein the delayed coking reaction rule comprises the change of the structure-oriented lumped representation of each raw material molecule in the corresponding reaction path thereof;
the prediction module is used for predicting a product molecule composition matrix of the delayed coking reaction according to the content of each raw material molecule based on a reaction dynamics equation set and a reaction time length corresponding to each effective reaction path, wherein the product molecule composition matrix comprises a structure-oriented lumped representation and content of each product molecule;
The adjusting module is used for predicting the attribute parameters of the products according to the attribute parameters of each product molecule, taking the difference value between the attribute parameters of the predicted products and the actual reaction products as an optimization target, adjusting the reaction rate corresponding to the delayed coking reaction rule, and taking the reaction rate meeting the optimization target condition as a delayed coking reaction model parameter.
In a third aspect, embodiments of the present disclosure provide a delayed coking reaction model building apparatus, including a processor, a communication interface, a memory, and a communication bus, where the processor, the communication interface, and the memory complete communication with each other through the communication bus;
a memory for storing a computer program;
and the processor is used for realizing the delayed coking reaction model construction method when executing the program stored in the memory.
In a fourth aspect, embodiments of the present disclosure provide a computer readable storage medium having stored thereon a computer program which, when executed by a processor, implements the delayed coking reaction model construction method described above.
Compared with the prior art, the technical scheme provided by the embodiment of the disclosure has at least part or all of the following advantages:
The method for constructing the delayed coking reaction model comprises the steps of obtaining a raw material molecular composition matrix of a delayed coking reaction; based on a preset delayed coking reaction rule, generating a reaction path corresponding to each molecule according to the structure guide lumped representation of each raw material molecule, obtaining a product molecule of each reaction path, comparing the product molecule with a preset molecule set, and only retaining the product molecule existing in the preset molecule set and the corresponding reaction path thereof as an effective product molecule and an effective reaction path; predicting a product molecular composition matrix of the delayed coking reaction according to the content of each raw material molecule based on a reaction kinetic equation set and a reaction time length corresponding to each effective reaction path; according to the attribute parameters of each product molecule, the attribute parameters of the product are predicted, the difference value between the attribute parameters of the predicted product and the actual reaction product is taken as an optimization target, the reaction rate corresponding to the delayed coking reaction rule is adjusted, the reaction rate meeting the optimization target condition is taken as a delayed coking reaction model parameter, and the influence of the operation condition and the blended raw materials on the distribution of the coking product can be quantitatively described from the molecular level.
Drawings
The accompanying drawings, which are incorporated in and constitute a part of this specification, illustrate embodiments consistent with the disclosure and together with the description, serve to explain the principles of the disclosure.
In order to more clearly illustrate the embodiments of the present disclosure or the technical solutions in the prior art, the drawings that are required to be used in the description of the embodiments or the related art will be briefly described below, and it will be apparent to those skilled in the art that other drawings can be obtained from these drawings without inventive effort.
FIG. 1 schematically illustrates a schematic flow diagram of a delayed coking reaction model building method in accordance with an embodiment of the present disclosure;
FIG. 2 schematically illustrates a block diagram of a delayed coking reaction model building apparatus according to an embodiment of the present disclosure;
fig. 3 schematically shows a block diagram of a delayed coking reaction model building apparatus according to an embodiment of the present disclosure.
Detailed Description
For the purposes of making the objects, technical solutions and advantages of the embodiments of the present disclosure more apparent, the technical solutions of the embodiments of the present disclosure will be clearly and completely described below with reference to the accompanying drawings in the embodiments of the present disclosure, and it is apparent that the described embodiments are some, but not all, embodiments of the present disclosure. All other embodiments, which can be made by one of ordinary skill in the art without undue burden from the disclosure, are within the scope of the disclosure.
Referring to fig. 1, an embodiment of the present disclosure provides a delayed coking reaction model building method, the method comprising:
s1, acquiring a raw material molecule composition matrix of a delayed coking reaction, wherein the raw material molecule composition matrix comprises structure-oriented lumped representation and content of each raw material molecule;
s2, generating a reaction path corresponding to each molecule according to the structure-oriented lumped representation of each raw material molecule based on a preset delayed coking reaction rule, obtaining a product molecule of each reaction path, comparing the product molecule with a preset molecular set, and only retaining the product molecules existing in the preset molecular set and the corresponding reaction paths thereof as effective product molecules and effective reaction paths, wherein the delayed coking reaction rule comprises the change of the structure-oriented lumped representation of each raw material molecule in the corresponding reaction path thereof;
s3, predicting a product molecule composition matrix of the delayed coking reaction according to the content of each raw material molecule based on a reaction kinetic equation set and a reaction time length corresponding to each effective reaction path, wherein the product molecule composition matrix comprises structure-oriented lumped representation and content of each product molecule, and the reaction time length is the stay time length of the raw material in a coke tower device;
S4, predicting attribute parameters of the products according to the attribute parameters of each product molecule, taking a difference value between the attribute parameters of the predicted products and actual reaction products as an optimization target, adjusting a reaction rate corresponding to a delayed coking reaction rule, and taking the reaction rate meeting the optimization target condition as a delayed coking reaction model parameter, wherein the attribute parameters are at least one of physical property parameters and content.
In some embodiments, the method further comprises obtaining a feedstock molecular composition for the delayed coking reaction specifically as follows:
obtained from the molecular composition of crude oil by means of a cleavage process, or,
the molecular composition of the primary or secondary processed product obtained after distillative cleavage of crude oil, wherein the molecular composition of the processed product is determined by one or more of gas chromatography-mass spectrometry, full two-dimensional gas chromatography, four-stage rod gas chromatography-mass spectrometer detection, gas chromatography or field ionization-time of flight mass spectrometry, near infrared spectrometry, nuclear magnetic resonance spectrometry, raman spectrometry, fourier transform ion cyclotron resonance spectrometry, electrostatic field orbitrap mass spectrometry, and ion mobility mass spectrometry.
In some embodiments, in step S1, the obtaining a feedstock molecule composition matrix for a delayed coking reaction includes:
Each raw material molecule is subjected to vector characterization based on a structure-oriented lumped molecule characterization method to obtain a structure-oriented lumped representation of each raw material molecule, wherein the structure-oriented lumped representation utilizes 24 structure increment fragments to characterize the basic structure of a complex hydrocarbon molecule, and ensures that any petroleum molecule can be expressed by a group of specific structure increment fragments, as shown in the following table 1;
TABLE 1 Structure-extending fragments of Petroleum molecules
The 24 characteristic structures are used for representing the composition of raw material molecules according to the corresponding rules in a molecular-oriented lumped representation method, each molecule is converted into a one-dimensional structure vector formed by the number of 24 fragment units, and the molecular vector is marked as A= [ a11, a12, … … a1n]. Each component in A represents the number of the characteristic structures corresponding to the table 1 in the molecule, the raw materials are represented by a molecular matrix with n multiplied by 24 dimensions and a molecular content vector with 1 multiplied by n dimensions, and the molecular matrix is marked as B=
The molecular content vector is denoted as c= [ C1, C2, … … cn]Wherein n is the molecular species in the raw material, each behavior of the molecular matrix B is a molecular vector, each component of the molecular content vector C corresponds to the content of each row of the molecular vector of the molecular matrix B, and the molecular content represents the mole fraction of the corresponding molecule in the raw material;
A6: one six-carbon aromatic ring present in all aromatic molecules may be present alone.
A4: the four carbon aromatic ring attached to A6 (or the other A4 ring) is a structural increment to build up a polymeric polycyclic structure that cannot exist alone.
A2: the two carbon aromatic structure increment, A2, is used to attach to the "bay area" of the polycyclic aromatic hydrocarbon to form a new polycyclic aromatic hydrocarbon.
N6 and N5: six-carbon and five-carbon naphthenes.
N4, N3, N2, N1: additional increments of alicyclic structures containing four, three, two and one carbon, which must be attached in other alicyclic or aromatic ring structures, cannot be present alone.
R: all alkyl groups attached to the ring structure contain the number of carbon atoms or the number of carbon atoms in the aliphatic molecule in the absence of the ring structure.
IH: the molecular saturation is described by introducing a hydrogen element-dependent structural increment. If there is no ring structure, ih=1 represents paraffin, ih=0 represents mono-olefin, and ih= -1 represents di-olefin; if a ring is present, IH= -1 represents a cyclic olefin.
br: the number of branch nodes on the side chain alkyl, the straight chain alkyl or the olefin is represented, and the methyl branch, the ethyl branch and the propyl branch cannot be distinguished, so that only the methyl branch is uniformly assumed, the influence of the branch type on the reaction is not significant in the actual oil refining process, the influence of the branch type on the reaction can be considered, the influence of the branch number can be represented by the assumption, and the influence of the branch type such as the methyl branch, the ethyl branch and the propyl branch is ignored, so that the actual requirement can be met.
me: the number of methyl groups in the alkyl structure directly attached to a carbon atom in an aromatic or aliphatic ring is determined. In particular, when r=1 or me=r-1, other structural increments can determine the number of methyl groups on the ring structure, according to convention me is not used to represent the number of methyl groups.
AA: a biphenyl bridging structure between any two unstructured incremental rings (A6, N6 or N5).
NS, NN and NO: sulfur, nitrogen, oxygen atoms located in the alicyclic ring or chain and attached to two carbon atoms. NS, NN and NO refer to the replacement of one-CH 2-with an S atom, -NH-group and O atom, respectively.
RS, RN and RO: an S atom, an N-containing-NH-group or an O atom is inserted between a carbon atom and a hydrogen atom to form a thiol, amine or alcohol group, respectively.
AN: carbon is replaced by nitrogen groups in the aromatic ring, such as pyridine and quinoline. AN group replaced with =n-for =ch-.
KO：
Instead of-CH 2-or-CH 3, a ketone or aldehyde group is formed.
Ni, V: occur in porphyrin-like molecules.
Directing the structure of each feedstock molecule to a lumped representation and content as a complete vector;
and combining the complete vectors of all the raw material molecules of the delayed coking reaction into a molecular composition matrix of the delayed coking reaction raw material.
In some embodiments, in step S2, the generating a reaction path corresponding to each molecule according to the structure-oriented lumped representation of each raw material molecule based on the preset delayed coking reaction rule, to obtain a product molecule of each reaction path, and comparing the product molecule with a preset molecular set, and only the product molecule existing in the preset molecular set and the corresponding reaction path thereof are reserved as an effective product molecule and an effective reaction path, including:
Traversing the structure guide lumped representation of each raw material molecule according to a preset delayed coking reaction rule to obtain a reaction path corresponding to each raw material molecule;
a second step of comparing each product molecule of the reaction path with a preset molecular set;
a third step of reserving product molecules existing in a preset molecular set and corresponding reaction paths thereof;
a fourth step of returning the reserved product molecules as raw material molecules to the first step until all the product molecules do not accord with any one of the preset delayed coking reaction rules;
and a fifth step of summarizing all the product molecules and reaction paths of the first to fourth steps as effective product molecules and effective reaction paths.
In some embodiments, in step S2, each raw material molecule in the delayed coking raw material reacts according to a reaction rule in the reaction rule set to obtain a reaction path corresponding to each molecule, where after each raw material molecule reacts for the first time to generate an intermediate product, the molecular structure of the intermediate product may meet another reaction rule, and then the intermediate product continues to react until the molecule of the intermediate product does not meet any reaction rule in the reaction rule set, and then the molecule of the intermediate product is a final product of the reaction, and a summary of the reactions is the reaction path of the molecule.
In some embodiments, in step S2, the preset delayed coking reaction rule includes an aromatic condensation reaction rule, an aromatic dehydrogenation reaction rule, an aromatic dealkylation reaction rule, an aromatic side chain breaking reaction rule, a cycloalkane ring opening reaction rule, a cycloalkane dehydrogenation aromatization reaction rule, an alkene aromatization reaction rule, a diene synthesis reaction rule, an alkene cleavage reaction rule, an alkene dehydrogenation reaction rule, an alkane cracking reaction rule, an alkane dehydrogenation reaction rule, an oxygenate carbon monoxide removal reaction rule, an oxygenate carbon dioxide removal reaction rule, and a sulfur-containing compound desulfurization reaction rule.
In some embodiments, in step S3, the set of reaction kinetic equations corresponding to the effective reaction path and the reaction duration are determined by the following steps:
determining a reaction rule corresponding to an effective reaction path, wherein the reaction rule is preset with a reaction duration and a reaction dynamics equation set matched with the reaction duration;
the reaction kinetics equation set of the effective reaction path and the reaction time are consistent with the corresponding reaction rules.
In some embodiments, in step S3, the predicting a product molecular composition matrix of the delayed coking reaction based on the set of reaction kinetics equations corresponding to each effective reaction path and the reaction duration according to the content of each raw material molecule includes:
For each effective reaction path, determining the raw material molecules and the product molecules of the current effective reaction path;
substituting the reaction time length of the current effective reaction path and the content of the raw material molecules into a reaction kinetic equation set to obtain the content of the raw material molecules and the product molecules of the current effective reaction path;
in this step, the content of the introduced raw material molecules is not necessarily the same as that of the effective reaction route, and there is a case where part of the raw material molecules do not participate in the reaction in different raw material compositions.
Summarizing the contents of raw material molecules and product molecules of all effective reaction paths, and determining the contents of all summarized product molecules of all effective reaction paths;
directing the structure of each summarized product molecule to a lumped representation and content as a complete vector;
the complete vectors of all summarized product molecules of the delayed coking reaction are combined into a product molecule composition matrix of the delayed coking reaction.
In some embodiments, in step S4, the attribute parameter includes a physical property parameter, and predicting the attribute parameter of the product according to the attribute parameter of each product molecule includes:
determining the product molecules contained in each product;
obtaining the content and physical parameters of each product according to the content and physical parameters of each product molecule in each product, wherein the physical parameters of each product molecule can be determined by a group contribution method, and the physical parameters comprise at least one of gas composition, gasoline density, viscosity, group composition, octane number, diesel oil density, diesel oil viscosity, cetane index of diesel oil, wax oil density, wax oil viscosity and metal content of wax oil, wherein different products are obtained by carrying out distillation cutting on all product molecules.
In some embodiments, the reaction rate constant corresponding to the delayed coking reaction rule is calculated by the following expression:
wherein ,kfor a reaction rate constant that is a rule of reaction,k a 、k b 、k c respectively the reaction kinetic parameters related to the catalyst, the reaction temperature and the reaction pressure,Ein order to react the activation energy of the reaction,Tin order to achieve the reaction temperature, the reaction mixture,pin order to achieve the reaction pressure, the reaction mixture,p k is a constant of the reaction pressure affecting the reaction rate.
In some embodiments, in step S4, the attribute parameters are physical property parameters and content, taking a difference between the attribute parameter of the predicted product and the actual reaction product as an optimization target, adjusting a reaction rate corresponding to the delayed coking reaction rule, and taking a reaction rate meeting the optimization target condition as a delayed coking reaction model parameter, including:
taking the difference between the predicted content and the actual content of the product as a first deviation value;
taking the difference value between the physical property parameter of the predicted product and the actual physical property parameter as a second deviation value;
summing the first deviation value and the second deviation value to obtain an accumulated deviation value;
if the accumulated deviation value does not meet the preset condition, adjusting the corresponding reaction rate of each reaction path to obtain a new predicted product; until the accumulated deviation value of the predicted product meets a preset condition, wherein the adjustment of the corresponding reaction rate of each reaction path specifically comprises: and adjusting parameters in a reaction rate constant calculation formula in the reaction rate corresponding to each reaction path.
Referring to fig. 2, an embodiment of the present disclosure provides a delayed coking reaction model building apparatus, including:
an acquisition module 11 for acquiring a feedstock molecule composition matrix for a delayed coking reaction, wherein the feedstock molecule composition matrix comprises a structure-oriented lumped representation and content of each feedstock molecule;
a generating module 12, configured to generate a reaction path corresponding to each molecule according to the structure-oriented lumped representation of each raw material molecule based on a preset delayed coking reaction rule, obtain a product molecule of each reaction path, and compare the product molecule with a preset molecular set, and only retain the product molecule existing in the preset molecular set and its corresponding reaction path as an effective product molecule and an effective reaction path, where the delayed coking reaction rule includes a change of the structure-oriented lumped representation of each raw material molecule in its corresponding reaction path;
a prediction module 13, configured to predict a product molecular composition matrix of the delayed coking reaction according to the content of each raw material molecule based on a reaction kinetic equation set and a reaction duration corresponding to each effective reaction path, where the product molecular composition matrix includes a structure-oriented lumped representation and content of each product molecule;
The adjustment module 14 is configured to predict the attribute parameter of the product according to the attribute parameter of each product molecule, take the difference between the attribute parameter of the predicted product and the actual reaction product as an optimization target, adjust the reaction rate corresponding to the delayed coking reaction rule, and take the reaction rate meeting the optimization target condition as a delayed coking reaction model parameter.
The implementation process of the functions and roles of each unit in the above device is specifically shown in the implementation process of the corresponding steps in the above method, and will not be described herein again.
For the device embodiments, reference is made to the description of the method embodiments for the relevant points, since they essentially correspond to the method embodiments. The apparatus 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 purposes of the present invention. Those of ordinary skill in the art will understand and implement the present invention without undue burden.
In the second embodiment described above, any of the acquisition module 11, the generation module 12, the prediction module 13, and the adjustment module 14 may be incorporated in one module to be implemented, or any of the modules may be split into a plurality of modules. Alternatively, some of the functions of one or more of these modules may be combined with some of the functions of other modules and implemented in one module. At least one of the acquisition module 11, the generation module 12, the prediction module 13 and the adjustment module 14 may be implemented at least in part as a hardware circuit, such as a Field Programmable Gate Array (FPGA), a Programmable Logic Array (PLA), a system on a chip, a system on a substrate, a system on a package, an Application Specific Integrated Circuit (ASIC), or in hardware or firmware such as any other reasonable way of integrating or packaging the circuits, or in any one of or a suitable combination of three of software, hardware and firmware. Alternatively, at least one of the acquisition module 11, the generation module 12, the prediction module 13 and the adjustment module 14 may be partly implemented as computer program modules, which, when executed, may perform the respective functions.
Referring to fig. 3, the delayed coking reaction model construction device provided by the embodiment of the present disclosure includes a processor 1110, a communication interface 1120, a memory 1130 and a communication bus 1140, where 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 a computer program;
obtaining a raw material molecule composition matrix of a delayed coking reaction, wherein the raw material molecule composition matrix comprises structure-oriented lumped representation and content of each raw material molecule;
generating a reaction path corresponding to each molecule according to the structure-oriented lumped representation of each raw material molecule based on a preset delayed coking reaction rule, obtaining a product molecule of each reaction path, comparing the product molecule with a preset molecular set, and only retaining the product molecules existing in the preset molecular set and the corresponding reaction paths thereof as effective product molecules and effective reaction paths, wherein the delayed coking reaction rule comprises the change of the structure-oriented lumped representation of each raw material molecule in the corresponding reaction path thereof;
Predicting a product molecule composition matrix of the delayed coking reaction according to the content of each raw material molecule based on a reaction dynamics equation set and a reaction time length corresponding to each effective reaction path, wherein the product molecule composition matrix comprises a structure-oriented lumped representation and content of each product molecule;
according to the attribute parameters of each product molecule, predicting the attribute parameters of the product, taking the difference value between the attribute parameters of the predicted product and the actual reaction product as an optimization target, adjusting the reaction rate corresponding to the delayed coking reaction rule, and taking the reaction rate meeting the optimization target condition as a delayed coking reaction model parameter.
The communication bus 1140 may be a peripheral component interconnect standard (PeripheralComponent Interconnect, PCI) bus or an extended industry standard architecture (ExtendedIndustry Standard Architecture, EISA) bus, among others. The communication bus 1140 may be divided into an address bus, a data bus, a control bus, and the like. For ease of illustration, the figures are shown with only one bold line, but not with only one bus or one type of bus.
The communication interface 1120 is used for communication between the electronic device and other devices described above.
The memory 1130 may include random access memory (Random AccessMemory, simply RAM) or may include non-volatile memory (non-volatile memory), such as at least one magnetic disk memory. Optionally, the memory 1130 may also be at least one storage device located remotely from the processor 1110.
The processor 1110 may be a general-purpose processor, including a central processing unit (Central Processing Unit, CPU for short), a network processor (Network Processor, NP for short), etc.; but also digital signal processors (Digital Signal Processing, DSP for short), application specific integrated circuits (Application Specific Integrated Circuit, ASIC for short), field-programmable gate arrays (Field-Programmable Gate Array, FPGA for short) or other programmable logic devices, discrete gate or transistor logic devices, discrete hardware components.
Embodiments of the present disclosure also provide a computer-readable storage medium. The computer readable storage medium stores a computer program which, when executed by a processor, implements the delayed coking reaction model construction method described above.
The computer-readable storage medium may be embodied in the apparatus/means described in the above embodiments; or may exist alone without being assembled into the apparatus/device. The above-described computer-readable storage medium carries one or more programs that, when executed, implement a delayed coking reaction model construction method according to an embodiment of the present disclosure.
According to embodiments of the present disclosure, the computer-readable storage medium may be a non-volatile computer-readable storage medium, which may include, for example, but is not limited to: a portable computer diskette, a hard disk, a Random Access Memory (RAM), a read-only memory (ROM), an erasable programmable read-only memory (EPROM or flash memory), a portable compact disc read-only memory (CD-ROM), an optical storage device, a magnetic storage device, or any suitable combination of the foregoing. In the context of this disclosure, a computer-readable storage medium may be any tangible medium that can contain, or store a program for use by or in connection with an instruction execution system, apparatus, or device.
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 merely a specific embodiment of the disclosure to enable one skilled in the art to understand or practice the disclosure. 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 disclosure. Thus, the present disclosure 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 (14)
1. A delayed coking reaction model construction method, characterized in that the method comprises:
obtaining a raw material molecule composition matrix of a delayed coking reaction, wherein the raw material molecule composition matrix comprises structure-oriented lumped representation and content of each raw material molecule;
generating a reaction path corresponding to each molecule according to the structure-oriented lumped representation of each raw material molecule based on a preset delayed coking reaction rule, obtaining a product molecule of each reaction path, comparing the product molecule with a preset molecular set, and only retaining the product molecules existing in the preset molecular set and the corresponding reaction paths thereof as effective product molecules and effective reaction paths, wherein the delayed coking reaction rule comprises the change of the structure-oriented lumped representation of each raw material molecule in the corresponding reaction path thereof;
Predicting a product molecule composition matrix of the delayed coking reaction according to the content of each raw material molecule based on a reaction dynamics equation set and a reaction time length corresponding to each effective reaction path, wherein the product molecule composition matrix comprises a structure-oriented lumped representation and content of each product molecule;
predicting attribute parameters of the products according to the attribute parameters of each product molecule, taking the difference value between the attribute parameters of the predicted products and the actual reaction products as an optimization target, adjusting the reaction rate corresponding to the delayed coking reaction rule, and taking the reaction rate meeting the optimization target condition as a delayed coking reaction model parameter;
the reaction rate constant corresponding to the delayed coking reaction rule is adjusted by the following expression:
wherein ,kfor a reaction rate constant that is a rule of reaction,k a 、k b 、k c respectively the reaction kinetic parameters related to the catalyst, the reaction temperature and the reaction pressure,Ein order to react the activation energy of the reaction,Tin order to achieve the reaction temperature, the reaction mixture,pin order to achieve the reaction pressure, the reaction mixture,p k is a constant of the reaction pressure affecting the reaction rate.
2. The method according to claim 1, characterized in that it further comprises obtaining a feedstock molecular composition of the delayed coking reaction, in particular as follows:
Obtained from the molecular composition of crude oil by means of a cleavage process, or,
the molecular composition of the primary or secondary processed product obtained after distillative cleavage of crude oil, wherein the molecular composition of the processed product is determined by one or more of gas chromatography-mass spectrometry, full two-dimensional gas chromatography, four-stage rod gas chromatography-mass spectrometer detection, gas chromatography or field ionization-time of flight mass spectrometry, near infrared spectrometry, nuclear magnetic resonance spectrometry, raman spectrometry, fourier transform ion cyclotron resonance spectrometry, electrostatic field orbitrap mass spectrometry, and ion mobility mass spectrometry.
3. The method of claim 1, wherein the obtaining a matrix of feedstock molecular composition for a delayed coking reaction comprises:
vector characterization is carried out on each raw material molecule based on a structure-oriented lumped molecule characterization method, so that structure-oriented lumped representation of each raw material molecule is obtained;
directing the structure of each feedstock molecule to a lumped representation and content as a complete vector;
and combining the complete vectors of all the raw material molecules of the delayed coking reaction into a molecular composition matrix of the delayed coking reaction raw material.
4. The method of claim 1 wherein the reaction time period is the time period during which the feedstock is resident in the coke drum apparatus.
5. The method according to claim 1, wherein the generating reaction paths corresponding to each molecule according to the structure-oriented lumped representation of each raw material molecule based on the preset delayed coking reaction rule, obtaining product molecules of each reaction path, comparing the product molecules with a preset molecular set, and retaining only the product molecules existing in the preset molecular set and the corresponding reaction paths thereof as effective product molecules and effective reaction paths, comprises:
traversing the structure guide lumped representation of each raw material molecule according to a preset delayed coking reaction rule to obtain a reaction path corresponding to each raw material molecule;
a second step of comparing each product molecule of the reaction path with a preset molecular set;
a third step of reserving product molecules existing in a preset molecular set and corresponding reaction paths thereof;
a fourth step of returning the reserved product molecules as raw material molecules to the first step until all the product molecules do not accord with any one of the preset delayed coking reaction rules;
and a fifth step of summarizing all the product molecules and reaction paths of the first to fourth steps as effective product molecules and effective reaction paths.
6. The method of claim 1, wherein the predetermined delayed coking reaction schedule comprises an aromatic condensation reaction schedule, an aromatic dehydrogenation reaction schedule, an aromatic dealkylation reaction schedule, an aromatic side chain scission reaction schedule, a cycloalkane ring opening reaction schedule, a cycloalkane dehydrogenation aromatization reaction schedule, an alkene aromatization reaction schedule, a diene synthesis reaction schedule, an alkene cleavage reaction schedule, an alkene dehydrogenation reaction schedule, an alkane cracking reaction schedule, an alkane dehydrogenation reaction schedule, an oxygenate carbon monoxide removal reaction schedule, an oxygenate carbon dioxide removal reaction schedule, and a sulfur-containing compound desulfurization reaction schedule.
7. The method according to claim 1, characterized in that a set of reaction kinetics equations corresponding to the effective reaction paths is determined, said set of reaction kinetics equations being the same set of ordinary differential equations under all reaction rule correspondence.
8. The method according to claim 1, wherein predicting a delayed coking reaction product molecular composition matrix based on the set of reaction kinetics equations and the reaction time period based on the content of each of the feedstock molecules comprises:
for each effective reaction path, determining the raw material molecules and the product molecules of the current effective reaction path;
Substituting the reaction time length of the current effective reaction path and the content of the raw material molecules into a reaction kinetic equation set to obtain the content of the raw material molecules and the product molecules of the current effective reaction path;
summarizing the contents of raw material molecules and product molecules of all effective reaction paths, and determining the contents of all summarized product molecules of all effective reaction paths;
directing the structure of each summarized product molecule to a lumped representation and content as a complete vector;
the complete vectors of all summarized product molecules of the delayed coking reaction are combined into a product molecule composition matrix of the delayed coking reaction.
9. The method of claim 1, wherein the property parameters include physical property parameters, and wherein predicting the property parameters of the product based on the property parameters of each product molecule comprises:
determining the product molecules contained in each product;
and obtaining the yield and physical parameters of each product according to the content and physical parameters of each product molecule in each product.
10. The method of claim 1, wherein the property parameter of the product is at least one of a physical property parameter and a yield.
11. The method of claim 10, wherein the physical property parameter comprises at least one of gas composition, gasoline density, viscosity, family composition, octane number, diesel density, diesel viscosity, cetane index of diesel, wax oil density, wax oil viscosity, metal content of wax oil.
12. A delayed coking reaction model construction device is characterized by comprising:
the acquisition module is used for acquiring a raw material molecule composition matrix of the delayed coking reaction, wherein the raw material molecule composition matrix comprises structure-oriented lumped representation and content of each raw material molecule;
the generation module is used for generating a reaction path corresponding to each molecule according to the structure-oriented lumped representation of each raw material molecule based on a preset delayed coking reaction rule, obtaining a product molecule of each reaction path, comparing the product molecule with a preset molecular set, and only retaining the product molecule existing in the preset molecular set and the corresponding reaction path thereof as an effective product molecule and an effective reaction path, wherein the delayed coking reaction rule comprises the change of the structure-oriented lumped representation of each raw material molecule in the corresponding reaction path thereof;
the prediction module is used for predicting a product molecule composition matrix of the delayed coking reaction according to the content of each raw material molecule based on a reaction dynamics equation set and a reaction time length corresponding to each effective reaction path, wherein the product molecule composition matrix comprises a structure-oriented lumped representation and content of each product molecule;
The adjusting module is used for predicting the attribute parameters of the products according to the attribute parameters of each product molecule, taking the difference value between the attribute parameters of the predicted products and the actual reaction products as an optimization target, adjusting the reaction rate corresponding to the delayed coking reaction rule, and taking the reaction rate meeting the optimization target condition as a delayed coking reaction model parameter;
the reaction rate constant corresponding to the delayed coking reaction rule is adjusted by the following expression:
wherein ,kfor a reaction rate constant that is a rule of reaction,k a 、k b 、k c respectively isReaction kinetic parameters related to catalyst, reaction temperature, reaction pressure,Ein order to react the activation energy of the reaction,Tin order to achieve the reaction temperature, the reaction mixture,pin order to achieve the reaction pressure, the reaction mixture,p k is a constant of the reaction pressure affecting the reaction rate.
13. The delayed coking reaction model construction equipment is characterized by comprising a processor, a communication interface, a memory and a communication bus, wherein the processor, the communication interface and the memory are communicated with each other through the communication bus;
a memory for storing a computer program;
a processor for implementing the delayed coking reaction model construction method of any one of claims 1 to 11 when executing a program stored on a memory.
14. A computer readable storage medium having stored thereon a computer program, wherein the computer program when executed by a processor implements the delayed coking reaction model construction method of any of claims 1-11.
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| CN111899813A (en) * | 2020-06-12 | 2020-11-06 | 中国石油天然气股份有限公司 | Product prediction model optimization method, system, equipment and storage medium of diesel hydrogenation device |
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