CN115831249A - Molecular-level catalytic cracking reaction product prediction method and device based on catalyst concentration change - Google Patents
Molecular-level catalytic cracking reaction product prediction method and device based on catalyst concentration change Download PDFInfo
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Abstract
The embodiment of the application provides a molecular-scale catalytic cracking reaction product prediction method and device based on catalyst concentration change. The molecular-level catalytic cracking reaction product prediction method based on the catalyst concentration change comprises the following steps: dividing the cracking reaction zone of the riser reactor into a plurality of differential units; predicting a product of a first catalytic cracking reaction of the molecular component material in a first differential unit by utilizing a molecular dynamics reaction equation according to the concentration value of the first catalyst; obtaining a second catalyst concentration value at an inlet of a second differential unit according to the molar content of each product molecule generated by the first catalytic cracking reaction; and predicting the products of the second catalytic cracking reaction of the molecular component materials in the second differential unit by utilizing a molecular dynamics reaction equation according to the concentration value of the second catalyst until the prediction of the products of the catalytic cracking reaction in each differential unit in the plurality of differential units is completed.
Description
Technical Field
The application relates to the technical field of oil refining processing, in particular to a molecular catalytic cracking reaction product prediction method and device based on catalyst concentration change.
Background
In the prior art, since a structure-oriented lumped Structure (SOL) model is complex, the computation of a reaction model at a molecular level is too large, and is restricted by the computation capability of a computer at the early stage, the molecular simulation of the catalytic cracking reaction simplifies the distribution of the concentration dimension of a reactant: the catalytic cracking riser reactor is assumed to be a one-dimensional quasi-homogeneous reactor, and the concentration of reaction components is only a function of the length of the riser; all catalytic cracking reactions occur at the same active site (which can be characterized using catalyst concentration variation).
However, the catalytic cracking reaction is mainly cracking, in the process of the catalytic cracking reaction, the reaction depth is gradually increased, the molar concentration of small molecular products is gradually increased, the system is expanded, and the number of active centers in unit volume is changed along with the change of the concentration of the catalyst in the process of ascending oil gas along a riser. Assuming that all catalytic cracking reactions occur at the same active site, the accuracy of the reaction process simulation calculations is reduced.
Therefore, how to predict the products of the molecular component materials in the catalytic cracking reaction process more accurately by using the reaction process model based on the change of the catalyst concentration in the riser reactor is a technical problem to be solved urgently.
Disclosure of Invention
The embodiment of the application provides a method and a device for predicting a molecular-level catalytic cracking reaction product based on catalyst concentration change, which are used for more accurately predicting the product of a molecular component material in a catalytic cracking reaction process by using a reaction process model based on the catalyst concentration change in a riser reactor.
One embodiment of the present application provides a method for predicting a molecular-scale catalytic cracking reaction product based on a catalyst concentration change, the method including: dividing the cracking reaction zone of the riser reactor into a plurality of differential units; predicting a product of a first catalytic cracking reaction of the molecular component material in a first differential unit by utilizing a molecular dynamics reaction equation according to the concentration value of the first catalyst; wherein the first catalyst concentration value is the concentration value of the catalyst at the inlet of the cracking reaction zone, and the first differentiating unit is a differentiating unit positioned at the inlet of the cracking reaction zone; obtaining a second catalyst concentration value at an inlet of a second differential unit according to the molar content of each product molecule generated by the first catalytic cracking reaction; predicting the products of the second catalytic cracking reaction of the molecular component materials in a second differential unit by utilizing a molecular dynamics reaction equation according to the concentration value of the second catalyst until the prediction of the products of the cracking reaction in each differential unit in the plurality of differential units is completed; wherein the second differentiating unit is adjacent to the first differentiating unit.
In some embodiments, said deriving a second catalyst concentration value at the inlet of a second differentiating unit as a function of the molar content of each product molecule produced by said first catalytic cracking reaction comprises: obtaining the mixed density of the products generated by the first catalytic cracking reaction according to the molar content of each product molecule generated by the first catalytic cracking reaction; and calculating to obtain a concentration value of the second catalyst according to the mixed density of the products generated by the first catalytic cracking reaction.
In some embodiments, said obtaining a mixed density of products produced by said first catalytic cracking reaction based on a molar content of each product molecule produced by said first catalytic cracking reaction comprises: calculating the molecular weight of each product molecule generated by the first catalytic cracking reaction by using the molar mass of a structural group represented by a structure-oriented lumped method according to the molar content of each product molecule generated by the first catalytic cracking reaction; the average molecular weight of the product produced by the first catalytic cracking reaction is obtained according to the molecular weight of each product molecule produced by the first catalytic cracking reaction by using the following formula:
wherein the content of the first and second substances,
is the mol content of the i-th product molecules generated by the first catalytic cracking reaction,
is the molecular weight of the i-th product molecule produced by the first catalytic cracking reaction,
is the average molecular weight of the product produced by the first catalytic cracking reaction; according to whatAnd obtaining the average molecular weight of the product generated by the first catalytic cracking reaction to obtain the mixed density of the product generated by the first catalytic cracking reaction.
In some embodiments, the mixed density of products produced by the first catalytic cracking reaction is obtained by the following equation:
(ii) a Wherein, the first and the second end of the pipe are connected with each other,
is the combined density of the products produced by the first catalytic cracking reaction,Pis the system pressure in the cracking reaction zone of the riser reactor,
is the average molecular weight of the product produced by the first catalytic cracking reaction,Tis the temperature within the cracking reaction zone of the riser reactor,Ris the gas constant.
In some embodiments, the second catalyst concentration value is calculated by the following equation:
(ii) a Wherein the content of the first and second substances,
is the catalyst circulation intensity in the cracking reaction zone of the riser reactor,
is the gas handling capacity per unit time per unit flow area in the cracking reaction zone of the riser reactor,
is the void fraction at the inlet of the second differentiating unit, calculated from the mixed density of the products of the first catalytic cracking reaction,
is the superficial velocity of the catalyst at the inlet of said second differentiating unit,
is the superficial velocity of the gas at the inlet of the second differentiating unit.
In some embodiments, the void fraction at the inlet of the second differentiating unit is calculated by the following equation:
(ii) a Wherein, the first and the second end of the pipe are connected with each other,
is the particle density of the catalyst in the cracking reaction zone of the riser reactor,
is the combined density of the products produced by the first catalytic cracking reaction,
is the second catalyst concentration value.
In some embodiments, predicting the product of the first catalytic cracking reaction of the molecular component feed within the first differential unit using a molecular dynamics reaction equation based on the first catalyst concentration value comprises:
the reaction speed of the molecular component material in the first differential unit is calculated by the ordinary differential equation shown as follows:
wherein the content of the first and second substances,
is the value of the first catalyst concentration,
is the compositional concentration of the jth reactant molecule in the molecular component feed,
is the length of the first differential unit,
as a constant of the adsorption rate,
is a reaction rate constant.
One of the embodiments of the present application provides an apparatus for predicting a molecular-scale catalytic cracking reaction product based on a catalyst concentration variation, the apparatus comprising: a dividing module for dividing the cracking reaction zone of the riser reactor into a plurality of differential units; the first prediction module is used for predicting the product of the first catalytic cracking reaction of the molecular component material in the first differential unit by utilizing a molecular dynamics reaction equation according to the concentration value of the first catalyst; wherein the first catalyst concentration value is the concentration value of the catalyst at the inlet of the cracking reaction zone, and the first differentiating unit is a differentiating unit positioned at the inlet of the cracking reaction zone; the acquisition module is used for acquiring a second catalyst concentration value at an inlet of a second differential unit according to the molar content of each product molecule generated by the first catalytic cracking reaction; a second prediction unit for predicting a product of a second catalytic cracking reaction of the molecular component material in a second differentiation unit by using a molecular dynamics reaction equation according to the second catalyst concentration value until the prediction of the product of the cracking reaction in each of the plurality of differentiation units is completed; wherein the second differentiating unit is adjacent to the first differentiating unit.
Compared with the prior art, the technical scheme provided by the embodiment of the application has at least the following advantages:
in embodiments provided herein, the cracking reaction zone of a riser reactor is divided into a plurality of differential units; predicting a product of a first catalytic cracking reaction of the molecular component material in a first differential unit by utilizing a molecular dynamics reaction equation according to the concentration value of the first catalyst; obtaining a second catalyst concentration value at an inlet of a second differential unit according to the molar content of each product molecule generated by the first catalytic cracking reaction; and predicting the products of the second catalytic cracking reaction of the molecular component materials in the second differential unit by utilizing a molecular dynamics reaction equation according to the second catalyst concentration value until the prediction of the products of the cracking reaction in each differential unit in the plurality of differential units is completed. Therefore, the product of the molecular component material in the catalytic cracking reaction process can be more accurately predicted by using the reaction process model based on the change of the catalyst concentration in the riser reactor.
Drawings
The present application will be further explained by way of exemplary embodiments, which will be described in detail by way of the accompanying drawings. These embodiments are not intended to be limiting, and in these embodiments like numerals are used to indicate like structures, wherein:
FIG. 1 is a schematic diagram of an application scenario of a molecular-scale catalytic cracking reaction product prediction method based on catalyst concentration variation according to some embodiments of the present application;
FIG. 2 is an exemplary flow diagram of a method for predicting products of a molecular scale catalytic cracking reaction based on changes in catalyst concentration, according to some embodiments of the present disclosure;
FIG. 3 is an exemplary schematic diagram of a plurality of differentiation units shown according to some embodiments of the present application;
FIG. 4 is an exemplary schematic diagram of a molecular scale catalytic cracking reaction product prediction unit based on catalyst concentration variation, according to some embodiments of the present application;
fig. 5 is an exemplary schematic of 24 groups according to a structure-oriented lumped approach shown in some embodiments of the present application.
Detailed Description
In order to more clearly illustrate the technical solutions of the embodiments of the present application, the drawings used in the description of the embodiments will be briefly introduced below. It is obvious that the drawings in the following description are only examples or embodiments of the application, and that for a person skilled in the art the application can also be applied to other similar contexts on the basis of these drawings without inventive effort. Unless otherwise apparent from the context, or stated otherwise, like reference numbers in the figures refer to the same structure or operation.
It should be understood that "system", "apparatus", "unit" and/or "module" as used herein is a method for distinguishing different components, elements, parts, portions or assemblies at different levels. However, other words may be substituted by other expressions if they accomplish the same purpose.
As used in this application and the appended claims, the terms "a," "an," "the," and/or "the" are not intended to be inclusive in the singular, but rather are intended to be inclusive in the plural unless the context clearly dictates otherwise. In general, the terms "comprises" and "comprising" merely indicate that steps and elements are included which are explicitly identified, that the steps and elements do not form an exclusive list, and that a method or apparatus may include other steps or elements.
Flow charts are used herein to illustrate operations performed by systems according to embodiments of the present application. It should be understood that the preceding or following operations are not necessarily performed in the exact order in which they are performed. Rather, the various steps may be processed in reverse order or simultaneously. Meanwhile, other operations may be added to the processes, or a certain step or several steps of operations may be removed from the processes.
Fig. 1 is a schematic diagram of an application scenario of a molecular-scale catalytic cracking reaction product prediction method based on catalyst concentration change according to some embodiments of the present application.
As shown in fig. 1, a service end 110, a terminal 120 and a network 130 may be included in an application scenario.
In some embodiments, data or information may be exchanged between the server 110 and the terminal 120 through the network 130. For example, the server 110 may obtain information and/or data in the terminal 120 through the network 130, or may transmit information and/or data to the terminal 120 through the network 130.
Terminal 120 is an electronic device used by a user to predict the products of a molecular composition material during a catalytic cracking reaction. In some embodiments, the terminal 120 can predict the product of the molecular component materials during the catalytic cracking reaction according to the methods provided in the embodiments of the present application. Under the condition that the computing resources of the terminal 120 are limited, the server 110 may predict the product of the molecular component material in the catalytic cracking reaction process according to the method provided in the embodiment of the present application, and return the prediction result to the terminal 120, so that the terminal 120 displays the prediction result to the user. The terminal 120 can be one or any combination of a mobile device, a tablet computer, and the like having input and/or output capabilities.
The server 110 may be a single server or a group of servers. The set of servers may be centralized or distributed (e.g., the server 110 may be a distributed system), may be dedicated, or may be serviced by other devices or systems at the same time. In some embodiments, the server 110 may be regional or remote. In some embodiments, the server 110 may be implemented on a cloud platform or provided in a virtual manner. By way of example only, the cloud platform may include a private cloud, a public cloud, a hybrid cloud, a community cloud, a distributed cloud, an internal cloud, a multi-tiered cloud, and the like, or any combination thereof.
In some embodiments, the network 130 may be any one or more of a wired network or a wireless network. For example, the network 130 may include a Local Area Network (LAN), a Wide Area Network (WAN), a Wireless Local Area Network (WLAN), a Metropolitan Area Network (MAN), etc., or any combination thereof.
For the convenience of understanding, the technical solutions of the present application are described below with reference to the accompanying drawings and embodiments.
FIG. 2 is an exemplary flow diagram of a method for molecular scale catalytic cracking reaction product prediction based on catalyst concentration variation, according to some embodiments of the present application. As shown in fig. 2, the method for predicting the reaction products of molecular-scale catalytic cracking based on the change of the catalyst concentration comprises the following steps:
in step S210, the cracking reaction zone of the riser reactor is divided into a plurality of differentiation units.
As shown in fig. 3, the riser reactor is provided with a pre-lifting section, a feeding section and a cracking reaction zone from bottom to top, and fig. 3 is only used as an example, and the length of the actual cracking reaction zone is far larger than the diameter of the riser reactor. The riser reactor is vertically pneumatically conveyed, and after molecular component materials enter the cracking reaction zone from the feeding section, catalytic cracking reaction is carried out along with the rising process.
In a specific implementation, as shown in fig. 3, the cracking reaction region may be divided into a plurality of differentiation units arranged in series, and the length of each differentiation unit may be the same or different, and is not limited by the description of the present specification. The actual catalytic cracking reaction is a continuous process, in the embodiment of the application, in order to obtain the concentration value of the catalyst in the reaction process of the riser reactor, the catalytic cracking reaction process is sequentially divided into a first catalytic cracking reaction and a second catalytic cracking reaction \8230, along with the ascending process of the molecular component material along the cracking reaction zone, the depth of the catalytic cracking reaction is gradually increased, the density and the molecular weight of the product generated by the reaction are continuously changed, and the concentration of the catalyst in the cracking reaction zone is also changed accordingly.
Step S220, predicting a product of a first catalytic cracking reaction of the molecular component material in a first differential unit by utilizing a molecular dynamics reaction equation according to the concentration value of the first catalyst; wherein the first catalyst concentration value is the concentration value of the catalyst at the inlet of the cracking reaction zone, and the first differential unit is a differential unit positioned at the inlet of the cracking reaction zone.
The first catalyst concentration value is the concentration value of the catalyst at the inlet of the cracking reaction zone. In particular embodiments, the first catalyst concentration value may be calculated based on the weight of the catalyst participating in the reaction and the volume of the riser feed zone. As shown in fig. 3, the first differential unit is a differential unit located at the inlet of the cracking reaction zone, in which the catalyst contacts with the oil gas to generate oil cracking reaction, causing the gas to expand rapidly, the gas flow velocity increases, so that the velocity of the catalyst particles in the ascending gas flow also accelerates, the velocity and concentration of the catalyst particles vary greatly along the radial direction and the axial direction, and therefore, the catalyst concentration at the inlets of different differential units is different.
In some embodiments, the reaction rate of the molecular component material in the first differential cell can be calculated by the ordinary differential equation shown below:
in the formula (1), the first and second groups,
is the value of the first catalyst concentration,
is the compositional concentration of the jth reactant molecule in the molecular component feed,
is the length of the first differential cell and,
as a constant of the adsorption rate,
is a reaction rate constant.
Step S230, obtaining a second catalyst concentration value at the inlet of the second differentiating unit according to the molar content of each product molecule generated by the first catalytic cracking reaction.
As shown in fig. 3, the second differential unit is adjacent to the first differential unit, and the mixed density of the products generated by the first catalytic cracking reaction can be obtained according to the molar content of each product molecule generated by the first catalytic cracking reaction in the first differential unit; and calculating to obtain a concentration value of the second catalyst according to the mixed density of the products generated by the first catalytic cracking reaction.
In some embodiments, the molecular weight of each product molecule produced by the first catalytic cracking reaction can be calculated based on the molar content of each product molecule produced by the first catalytic cracking reaction using the molar mass of the structural group expressed in a structure-oriented lumped method; the average molecular weight of the products produced by the first catalytic cracking reaction is obtained from the molecular weight of each product molecule produced by the first catalytic cracking reaction using the following formula:
in the formula (2), the first and second groups,
is the mol content of the i-th product molecules generated by the first catalytic cracking reaction,
is the molecular weight of the i-th product molecule produced by the first catalytic cracking reaction,
is the average molecular weight of the product produced by the first catalytic cracking reaction; and obtaining the mixed density of the products generated by the first catalytic cracking reaction according to the average molecular weight of the products generated by the first catalytic cracking reaction. For example only, the mixed density of the products produced by the first catalytic cracking reaction may be obtained by the following equation:
in the formula (3), the first and second groups,
is the mixed density of the products produced by the first catalytic cracking reaction;Pthe system pressure in the cracking reaction zone of the riser reactor can be obtained by measurement or calculation;
is the average molecular weight of the product produced by the first catalytic cracking reaction;Tthe temperature in the cracking reaction zone of the riser reactor can be measured or calculated;Ris the gas constant.
The 24 groups of the structure-directed lumped method are shown in fig. 5, wherein A6 is a benzene ring; a4 is a four carbon aromatic ring increment attached to another aromatic ring; a2 is an aromatic ring increment containing two carbons; n6 and N5 are aliphatic rings with 6 carbons and 5 carbons respectively; n4, N3, N2 and N1 are respectively aliphatic ring increment representing 4 carbons, 3 carbons, 2 carbons and 1 carbon which are connected on an aromatic ring or a naphthenic ring; r is the number of carbons other than the ring carbon; me refers to the number of methyl groups attached to the aromatic or aliphatic ring of the molecule; br is the number of alkyl substituents attached to the alkyl, alkenyl or alkyl branch; AA represents a bridge between the two rings; IH to specify the hydrogen increment of the degree of molecular unsaturation (except for unsaturation on the aromatic ring); NS, NN and NO are sulfur, nitrogen and oxygen atoms connecting two carbon atoms; RS, RN and RO respectively represent sulfur, nitrogen and oxygen atoms among the hydrocarbons; AN represents a nitrogen atom on AN aromatic ring; KO represents a carbonyl or aldehyde oxygen atom; ni and V represent metal nickel and vanadium atoms.
In some embodiments, the second catalyst concentration value may be calculated by the following equation:
in the formula (4), the first and second groups,
the circulating strength of the catalyst in the cracking reaction zone of the riser reactor can be calculated by the existing method;
the gas treatment capacity in unit time unit flow area in the cracking reaction zone of the riser reactor can be calculated by the existing method;
the porosity at the inlet of the second differential unit is calculated according to the mixed density of the products generated by the first catalytic cracking reaction;
the superficial velocity of the catalyst at the inlet of the second differentiating unit,
which is the superficial velocity of the gas at the inlet of the second differentiating unit, both can be calculated according to the existing formula.
In some embodiments, the void fraction at the inlet of the second differentiation unit may be calculated by the following equation:
in the formula (5), the first and second groups,
to be the particle density of the catalyst in the cracking reaction zone of the riser reactor,
is the combined density of the products produced by the first catalytic cracking reaction,
is the second catalyst concentration value.
In particular implementations, the second catalyst concentration value may be obtained by solving a system of equations consisting of equations (4) and (5).
In some embodiments, the superficial velocity of the gas at the inlet of the second differentiating unit may be calculated by the following equation:
in the formula (6), the first and second groups,
is the harmonic mean particle size of the catalyst particle population in the cracking reaction zone of the riser reactor,gis the acceleration of the gravity, and the acceleration is the acceleration of the gravity,
is the particle density of the catalyst in the cracking reaction zone of the riser reactor,
is the mixed density of the products produced by the first catalytic cracking reaction.
Step S240, predicting the product of the second catalytic cracking reaction of the molecular component material in the second differential unit by utilizing a molecular dynamics reaction equation according to the concentration value of the second catalyst until the prediction of the product of the cracking reaction in each differential unit in the plurality of differential units is completed; wherein the second differentiating unit is adjacent to the first differentiating unit.
In a specific implementation, the catalyst concentration value at the inlet of each differentiating unit can be obtained by circularly executing the methods described in steps S210 to S240, and the product of the catalytic cracking reaction occurring in each differentiating unit can be predicted according to the catalyst concentration value at the inlet.
In the embodiment provided by the application, the cracking reaction area of the riser reactor is divided into a plurality of differential units, the molecular dynamics reaction equation is utilized to predict the catalytic cracking reaction products of the molecular component materials in the differential units according to the catalyst concentration at the inlet of each differential unit, and the change of the catalyst concentration in the whole reaction process is fully considered, so that more accurate calculation and prediction results can be obtained.
FIG. 4 is an exemplary schematic diagram of a molecular scale catalytic cracking reaction product prediction unit based on catalyst concentration changes, according to some embodiments of the present application.
As shown in fig. 4, the apparatus for predicting reaction products of molecular scale catalytic cracking based on the change of catalyst concentration includes: a partitioning module 410, a first prediction module 420, an acquisition module 430, and a second testing module 440.
A partitioning module 410 for partitioning the cracking reaction zone of the riser reactor into a plurality of differential units.
A first prediction module 420 for predicting a product of a first catalytic cracking reaction of a molecular component feed in a first differentiation unit using a molecular dynamics reaction equation based on a first catalyst concentration value; wherein the first catalyst concentration value is the concentration value of the catalyst at the inlet of the cracking reaction zone, and the first differentiating unit is a differentiating unit located at the inlet of the cracking reaction zone.
An obtaining module 430, configured to obtain a second catalyst concentration value at an inlet of a second differentiating unit according to a molar content of each product molecule generated by the first catalytic cracking reaction.
A second prediction module 440 configured to predict a product of a second catalytic cracking reaction of the molecular component feed in a second differential unit according to the second catalyst concentration value using a molecular dynamics reaction equation until the prediction of the product of the cracking reaction in each of the plurality of differential units is completed; wherein the second differentiating unit is adjacent to the first differentiating unit.
In some embodiments, said deriving a second catalyst concentration value at an inlet of a second differentiating unit as a function of a molar content of each product molecule produced by said first catalytic cracking reaction comprises:
obtaining the mixed density of the products generated by the first catalytic cracking reaction according to the molar content of each product molecule generated by the first catalytic cracking reaction; and calculating to obtain a concentration value of the second catalyst according to the mixed density of the products generated by the first catalytic cracking reaction.
In some embodiments, said obtaining a mixed density of products produced by said first catalytic cracking reaction based on a molar content of each product molecule produced by said first catalytic cracking reaction comprises: calculating the molecular weight of each product molecule generated by the first catalytic cracking reaction by using the molar mass of a structural group represented by a structure-oriented lumped method according to the molar content of each product molecule generated by the first catalytic cracking reaction; the average molecular weight of the product produced by the first catalytic cracking reaction is obtained according to the molecular weight of each product molecule produced by the first catalytic cracking reaction by using the following formula:
wherein the content of the first and second substances,
is the molar content of the i-th product molecules generated by the first catalytic cracking reaction,
is the molecular weight of the i-th product molecule produced by the first catalytic cracking reaction,
is the average molecular weight of the product produced by the first catalytic cracking reaction; and obtaining the mixed density of the products generated by the first catalytic cracking reaction according to the average molecular weight of the products generated by the first catalytic cracking reaction.
In some embodiments, the mixed density of products produced by the first catalytic cracking reaction is obtained by the following equation:
(ii) a Wherein the content of the first and second substances,
is the combined density of the products produced by the first catalytic cracking reaction,Pis the system pressure in the cracking reaction zone of the riser reactor,
is the average molecular weight of the product produced by the first catalytic cracking reaction,Tis the temperature within the cracking reaction zone of the riser reactor,Ris the gas constant.
In some embodiments, the second catalyst concentration value is calculated by the following equation:
(ii) a Wherein the content of the first and second substances,
is the catalyst circulation intensity in the cracking reaction zone of the riser reactor,
is the gas handling capacity per unit time per unit flow area in the cracking reaction zone of the riser reactor,
is the porosity at the inlet of the second differential unit, which is calculated from the mixed density of the products of the first catalytic cracking reaction,
is the superficial velocity of the catalyst at the inlet of said second differentiating unit,
is the superficial velocity of the gas at the inlet of the second differentiating unit.
In some embodiments, predicting the product of the first catalytic cracking reaction of the molecular component feed in the first differentiation unit based on the first catalyst concentration value using a molecular dynamics reaction equation comprises:
the reaction speed of the molecular component material in the first differential unit is calculated by the ordinary differential equation shown as follows:
wherein the content of the first and second substances,
is the value of the first catalyst concentration,
is the compositional concentration of the jth reactant molecule in the molecular component feed,
is the length of the first differential unit,
as a constant of the adsorption rate,
is a reaction rate constant.
In the embodiment of the device for predicting the molecular-scale catalytic cracking reaction product based on the catalyst concentration variation, the specific processing of each module and the technical effects thereof can refer to the relevant descriptions in the corresponding method embodiments, and are not repeated herein.
Having thus described the basic concept, it will be apparent to those skilled in the art that the foregoing detailed disclosure is to be considered merely illustrative and not restrictive of the broad application. Various modifications, improvements and adaptations to the present application may occur to those skilled in the art, although not explicitly described herein. Such modifications, improvements and adaptations are proposed in the present application and thus fall within the spirit and scope of the exemplary embodiments of the present application.
Also, this application uses specific language to describe embodiments of the application. Reference throughout this specification to "one embodiment," "an embodiment," and/or "some embodiments" means that a particular feature, structure, or characteristic described in connection with at least one embodiment of the present application is included in at least one embodiment of the present application. Therefore, it is emphasized and should be appreciated that two or more references to "an embodiment" or "one embodiment" or "an alternative embodiment" in various places throughout this application are not necessarily all referring to the same embodiment. Furthermore, some features, structures, or characteristics of one or more embodiments of the present application may be combined as appropriate.
Additionally, the order in which elements and sequences of the processes described herein are processed, the use of alphanumeric characters, or the use of other designations, is not intended to limit the order of the processes and methods described herein, unless explicitly claimed. While certain presently contemplated useful embodiments of the invention have been discussed in the foregoing disclosure by way of various examples, it is to be understood that such detail is solely for that purpose and that the appended claims are not limited to the disclosed embodiments, but, on the contrary, are intended to cover all modifications and equivalent arrangements that are within the spirit and scope of the embodiments of the disclosure. For example, although the system components described above may be implemented by hardware devices, they may also be implemented by software-only solutions, such as installing the described system on an existing server or mobile device.
Similarly, it should be noted that in the preceding description of embodiments of the application, various features are sometimes grouped together in a single embodiment, figure, or description thereof for the purpose of streamlining the disclosure aiding in the understanding of one or more of the embodiments. This method of disclosure, however, is not intended to require more features than are expressly recited in the claims. Indeed, the embodiments may be characterized as having less than all of the features of a single embodiment disclosed above.
Numerals describing the number of components, attributes, etc. are used in some embodiments, it being understood that such numerals used in the description of the embodiments are modified in some instances by the use of the modifier "about", "approximately" or "substantially". Unless otherwise indicated, "about", "approximately" or "substantially" indicates that the number allows a variation of ± 20%. Accordingly, in some embodiments, the numerical parameters used in the specification and claims are approximations that may vary depending upon the desired properties of the individual embodiments. In some embodiments, the numerical parameter should take into account the specified significant digits and employ a general digit preserving approach. Notwithstanding that the numerical ranges and parameters setting forth the broad scope of the range are approximations, in the specific examples, such numerical values are set forth as precisely as possible within the scope of the application.
The entire contents of each patent, patent application publication, and other material cited in this application, such as articles, books, specifications, publications, documents, and the like, are hereby incorporated by reference into this application. Except where the application is filed in a manner inconsistent or contrary to the present disclosure, and except where the claim is filed in its broadest scope (whether present or later appended to the application) as well. It is noted that the descriptions, definitions and/or use of terms in this application shall control if they are inconsistent or contrary to the statements and/or uses of the present application in the material attached to this application.
Finally, it should be understood that the embodiments described herein are merely illustrative of the principles of the embodiments of the present application. Other variations are also possible within the scope of the present application. Thus, by way of example, and not limitation, alternative configurations of the embodiments of the present application can be viewed as being consistent with the teachings of the present application. Accordingly, the embodiments of the present application are not limited to only those embodiments explicitly described and depicted herein.
Claims (7)
1. A method for predicting products of molecular-scale catalytic cracking reactions based on changes in catalyst concentration, the method comprising:
dividing the cracking reaction zone of the riser reactor into a plurality of differential units;
predicting a product of a first catalytic cracking reaction of the molecular component material in a first differential unit by utilizing a molecular dynamics reaction equation according to the concentration value of the first catalyst; wherein the first catalyst concentration value is the concentration value of the catalyst at the inlet of the cracking reaction zone, and the first differentiating unit is a differentiating unit located at the inlet of the cracking reaction zone;
obtaining a second catalyst concentration value at an inlet of a second differentiating unit based on a molar content of each product molecule produced by the first catalytic cracking reaction, comprising:
obtaining the mixed density of the products generated by the first catalytic cracking reaction according to the molar content of each product molecule generated by the first catalytic cracking reaction;
calculating to obtain a concentration value of the second catalyst according to the mixed density of the product generated by the first catalytic cracking reaction;
predicting the products of the second catalytic cracking reaction of the molecular component materials in a second differential unit by utilizing a molecular dynamics reaction equation according to the concentration value of the second catalyst until the prediction of the products of the catalytic cracking reaction in each differential unit in the plurality of differential units is completed; wherein the second differentiating unit is adjacent to the first differentiating unit.
2. The method of claim 1, wherein obtaining the mixed density of the products of the first catalytic cracking reaction based on the molar content of each product molecule produced by the first catalytic cracking reaction comprises:
calculating the molecular weight of each product molecule generated by the first catalytic cracking reaction by using the molar mass of a structural group represented by a structure-oriented lumped method according to the molar content of each product molecule generated by the first catalytic cracking reaction;
the average molecular weight of the product produced by the first catalytic cracking reaction is obtained according to the molecular weight of each product molecule produced by the first catalytic cracking reaction by using the following formula:
and obtaining the mixed density of the products generated by the first catalytic cracking reaction according to the average molecular weight of the products generated by the first catalytic cracking reaction.
3. The method of claim 2, wherein the mixed density of the products produced by the first catalytic cracking reaction is obtained by the following equation:
4. The method of claim 3, wherein the second catalyst concentration value is calculated by the following equation:
5. The method of claim 4, wherein the void fraction at the inlet of the second differentiating unit is calculated by the following equation:
6. The method of claim 1, wherein predicting the product of the first catalytic cracking reaction of the molecular component material in the first differential unit using a molecular dynamics reaction equation based on the first catalyst concentration value comprises:
the reaction speed of the molecular component material in the first differential unit is calculated by the ordinary differential equation shown as follows:
7. An apparatus for predicting a reaction product of molecular-scale catalytic cracking based on a change in catalyst concentration, the apparatus comprising:
a dividing module for dividing the cracking reaction zone of the riser reactor into a plurality of differential units;
the first prediction module is used for predicting the product of the first catalytic cracking reaction of the molecular component material in the first differential unit by utilizing a molecular dynamics reaction equation according to the concentration value of the first catalyst; wherein the first catalyst concentration value is the concentration value of the catalyst at the inlet of the cracking reaction zone, and the first differentiating unit is a differentiating unit positioned at the inlet of the cracking reaction zone;
the acquisition module is used for acquiring a second catalyst concentration value at an inlet of a second differential unit according to the molar content of each product molecule generated by the first catalytic cracking reaction;
the second prediction module is used for predicting the products of the second catalytic cracking reaction of the molecular component materials in the second differential unit by utilizing a molecular dynamics reaction equation according to the concentration value of the second catalyst until the prediction of the products of the catalytic cracking reaction in each differential unit in the plurality of differential units is completed; wherein the second differentiating unit is adjacent to the first differentiating unit.
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