A new 18-lump kinetic model for naphtha catalytic reforming reactions is discussed. By developing this model as a user module, a whole industrial continuous catalytic reforming process is simulated on Aspen plus plat-...A new 18-lump kinetic model for naphtha catalytic reforming reactions is discussed. By developing this model as a user module, a whole industrial continuous catalytic reforming process is simulated on Aspen plus plat-form. The technique utilizes the strong databases, complete sets of modules, and flexible simulation tools of the Aspen plus system and retains the characteristics of the proposed kinetic model. The calculated results are in fair agreement with the actual operating data. Based on the model of the whole reforming process, the process is opti-mized and the optimization results are tested in the actual industrial unit for about two months. The test shows that the process profit increases about 1000yuan·h-1 averagely, which is close to the calculated result.展开更多
Through the study of the kinetics of dimethyl ether steam reforming reaction, a two-dimensional model of the reactor is established. At the same time, rate equations of simplified elementary reactions of DME steam ref...Through the study of the kinetics of dimethyl ether steam reforming reaction, a two-dimensional model of the reactor is established. At the same time, rate equations of simplified elementary reactions of DME steam reforming reaction are deduced by the mechanism of Langmuir-Hinshel-wood, and the rate constants are obtained by correcting the pre-exponential factor of Arrhenius equation. Finally, the analog data of DME steam reforming reaction under a variety of conditions are obtained, and making a simulation diagram. The two-dimensional model is substantially correct because of the analog data more in line with a variety of knowledge.展开更多
An approach for the simulation and optimization of continuous catalyst-regenerative process of reforming is proposed in this paper.Compared to traditional method such as finite difference method,the orthogonal colloca...An approach for the simulation and optimization of continuous catalyst-regenerative process of reforming is proposed in this paper.Compared to traditional method such as finite difference method,the orthogonal collocation method is less time-consuming and more accurate,which can meet the requirement of real-time optimization(RTO).In this paper,the equation-oriented method combined with the orthogonal collocation method and the finite difference method is adopted to build the RTO model for catalytic reforming regenerator.The orthogonal collocation method was adopted to discretize the differential equations and sequential quadratic programming(SQP)algorithm was used to solve the algebraic equations.The rate constants,active energy and reaction order were estimated,with the sum of relative errors between actual value and simulated value serving as optimization objective function.The model can quickly predict the fields of component concentration,temperature and pressure inside the regenerator under different conditions,as well as the real-time optimized conditions for industrial reforming regenerator.展开更多
According to the process features and the reaction mechanism of FDFCC technology, its two reaction subsystems, one for heavy oil riser reactor, the other for gasoline riser reactor, were respec-tively studied. Corresp...According to the process features and the reaction mechanism of FDFCC technology, its two reaction subsystems, one for heavy oil riser reactor, the other for gasoline riser reactor, were respec-tively studied. Correspondingly, a 12-lump kinetic model for heavy oil FCC and a 9-lump kinetic model for gasoline catalytic upgrading were presented. Based on this work, mathematical correlation of the lumps in the feeds and products involved in the reaction subsystems and those of the overall reaction system were analyzed in detail. Then, a combined kinetic model for FDFCC, which was based on the data recovered from a commercial unit, was put forward. The reaction performance embodied by the kinetic constants for the combined model of FDFCC was in accordance with catalytic cracking reaction mechanism. The model-calculated values were close to the data obtained in commercial scale. The model was easy to be applied in practice and could also provide some theoretical groundwork for further re-search on kinetic model for FDFCC.展开更多
On the basis of formulating the 9-lump kinetic model for gasoline catalytic upgrading and the 12- lump kinetic model for heavy oil FCC, this paper is aimed at development of a combined kinetic model for a typical FDFC...On the basis of formulating the 9-lump kinetic model for gasoline catalytic upgrading and the 12- lump kinetic model for heavy oil FCC, this paper is aimed at development of a combined kinetic model for a typical FDFCC process after analyzing the coupled relationship and combination of these two models. The model is also verified by using commercial data, the results of which showed that the model can better predict the product yields and their quality, with the relative errors between the main products of the unit and commercial data being less than five percent. Furthermore, the combined model is used to predict and optimize the operating conditions for gasoline riser and heavy oil riser in FDFCC. So this paper can offer some guidance for the processing of FDFCC and is instructive to model research and development of such multi-reactor process and combined process.展开更多
The combustion processes of homogeneous charge compression ignition (HCCI) engines whose piston surfaces have been coated with catalyst (rhodium or platinum) were numerically investigated. A singlezone model and a...The combustion processes of homogeneous charge compression ignition (HCCI) engines whose piston surfaces have been coated with catalyst (rhodium or platinum) were numerically investigated. A singlezone model and a multi-zone model were developed. The effects of catalytic combustion on the ignition timing of the HCCI engine were analyzed through the single-zone model. The results showed that the ignition timing of the HCCI engine was advanced by the catalysis. The effects of catalytic combustion on HC, CO and NOx emissions of the HCCI engine were analyzed through the multi-zone model. The results showed that the emissions of HC and CO (using platinum (Pt) as catalyst) were decreased, while the emissions of NOx were elevated by catalytic combustion. Compared with catalyst Pt, the HC emissions were lower with catalyst rhodium (Rh) on the piston surface, but the emissions of NOx and CO were higher.展开更多
In this article, a multiobjective optimization strategy for an industrial naphtha continuous catalytic reform-ing process that aims to obtain aromatic products is proposed. The process model is based on a 20-lumped ki...In this article, a multiobjective optimization strategy for an industrial naphtha continuous catalytic reform-ing process that aims to obtain aromatic products is proposed. The process model is based on a 20-lumped kinetics re-action network and has been proved to be quite effective in terms of industrial application. The primary objectives in-clude maximization of yield of the aromatics and minimization of the yield of heavy aromatics. Four reactor inlet tem-peratures, reaction pressure, and hydrogen-to-oil molar ratio are selected as the decision variables. A genetic algorithm, which is proposed by the authors and named as the neighborhood and archived genetic algorithm (NAGA), is applied to solve this multiobjective optimization problem. The relations between each decision variable and the two objectives are also proposed and used for choosing a suitable solution from the obtained Pareto set.展开更多
Plasma-catalytic dry reforming of CH_(4)(DRM) is promising to convert the greenhouse gasses CH_(4) and CO_(2) into value-added chemicals, thus simultaneously providing an alternative to fossil resources as feedstock f...Plasma-catalytic dry reforming of CH_(4)(DRM) is promising to convert the greenhouse gasses CH_(4) and CO_(2) into value-added chemicals, thus simultaneously providing an alternative to fossil resources as feedstock for the chemical industry. However, while many experiments have been dedicated to plasma-catalytic DRM, there is no consensus yet in literature on the optimal choice of catalyst for targeted products,because the underlying mechanisms are far from understood. Indeed, plasma catalysis is very complex,as it encompasses various chemical and physical interactions between plasma and catalyst, which depend on many parameters. This complexity hampers the comparison of experimental results from different studies, which, in our opinion, is an important bottleneck in the further development of this promising research field. Hence, in this perspective paper, we describe the important physical and chemical effects that should be accounted for when designing plasma-catalytic experiments in general, high-lighting the need for standardized experimental setups, as well as careful documentation of packing properties and reaction conditions, to further advance this research field. On the other hand, many parameters also create many windows of opportunity for further optimizing plasma-catalytic systems.Finally, various experiments also reveal the lack of improvement in plasma catalysis compared to plasma-only, specifically for DRM, but the underlying mechanisms are unclear. Therefore, we present our newly developed coupled plasma-surface kinetics model for DRM, to provide more insight in the underlying reasons. Our model illustrates that transition metal catalysts can adversely affect plasmacatalytic DRM, if radicals dominate the plasma-catalyst interactions. Thus, we demonstrate that a good understanding of the plasma-catalyst interactions is crucial to avoiding conditions at which these interactions negatively affect the results, and we provide some recommendations for improvement. For instance, we believe that plasma-catalytic DRM may benefit more from higher reaction temperatures,at which vibrational excitation can enhance the surface reactions.展开更多
基金Supported by the National Natural Science Foundation of China (No.60421002).
文摘A new 18-lump kinetic model for naphtha catalytic reforming reactions is discussed. By developing this model as a user module, a whole industrial continuous catalytic reforming process is simulated on Aspen plus plat-form. The technique utilizes the strong databases, complete sets of modules, and flexible simulation tools of the Aspen plus system and retains the characteristics of the proposed kinetic model. The calculated results are in fair agreement with the actual operating data. Based on the model of the whole reforming process, the process is opti-mized and the optimization results are tested in the actual industrial unit for about two months. The test shows that the process profit increases about 1000yuan·h-1 averagely, which is close to the calculated result.
文摘Through the study of the kinetics of dimethyl ether steam reforming reaction, a two-dimensional model of the reactor is established. At the same time, rate equations of simplified elementary reactions of DME steam reforming reaction are deduced by the mechanism of Langmuir-Hinshel-wood, and the rate constants are obtained by correcting the pre-exponential factor of Arrhenius equation. Finally, the analog data of DME steam reforming reaction under a variety of conditions are obtained, and making a simulation diagram. The two-dimensional model is substantially correct because of the analog data more in line with a variety of knowledge.
基金This work was supported by the Science and Technology Development Project of SINOPEC,China(No.319026).
文摘An approach for the simulation and optimization of continuous catalyst-regenerative process of reforming is proposed in this paper.Compared to traditional method such as finite difference method,the orthogonal collocation method is less time-consuming and more accurate,which can meet the requirement of real-time optimization(RTO).In this paper,the equation-oriented method combined with the orthogonal collocation method and the finite difference method is adopted to build the RTO model for catalytic reforming regenerator.The orthogonal collocation method was adopted to discretize the differential equations and sequential quadratic programming(SQP)algorithm was used to solve the algebraic equations.The rate constants,active energy and reaction order were estimated,with the sum of relative errors between actual value and simulated value serving as optimization objective function.The model can quickly predict the fields of component concentration,temperature and pressure inside the regenerator under different conditions,as well as the real-time optimized conditions for industrial reforming regenerator.
文摘According to the process features and the reaction mechanism of FDFCC technology, its two reaction subsystems, one for heavy oil riser reactor, the other for gasoline riser reactor, were respec-tively studied. Correspondingly, a 12-lump kinetic model for heavy oil FCC and a 9-lump kinetic model for gasoline catalytic upgrading were presented. Based on this work, mathematical correlation of the lumps in the feeds and products involved in the reaction subsystems and those of the overall reaction system were analyzed in detail. Then, a combined kinetic model for FDFCC, which was based on the data recovered from a commercial unit, was put forward. The reaction performance embodied by the kinetic constants for the combined model of FDFCC was in accordance with catalytic cracking reaction mechanism. The model-calculated values were close to the data obtained in commercial scale. The model was easy to be applied in practice and could also provide some theoretical groundwork for further re-search on kinetic model for FDFCC.
文摘On the basis of formulating the 9-lump kinetic model for gasoline catalytic upgrading and the 12- lump kinetic model for heavy oil FCC, this paper is aimed at development of a combined kinetic model for a typical FDFCC process after analyzing the coupled relationship and combination of these two models. The model is also verified by using commercial data, the results of which showed that the model can better predict the product yields and their quality, with the relative errors between the main products of the unit and commercial data being less than five percent. Furthermore, the combined model is used to predict and optimize the operating conditions for gasoline riser and heavy oil riser in FDFCC. So this paper can offer some guidance for the processing of FDFCC and is instructive to model research and development of such multi-reactor process and combined process.
基金the National Key Basic Research Development Project of China (2001CB209201)
文摘The combustion processes of homogeneous charge compression ignition (HCCI) engines whose piston surfaces have been coated with catalyst (rhodium or platinum) were numerically investigated. A singlezone model and a multi-zone model were developed. The effects of catalytic combustion on the ignition timing of the HCCI engine were analyzed through the single-zone model. The results showed that the ignition timing of the HCCI engine was advanced by the catalysis. The effects of catalytic combustion on HC, CO and NOx emissions of the HCCI engine were analyzed through the multi-zone model. The results showed that the emissions of HC and CO (using platinum (Pt) as catalyst) were decreased, while the emissions of NOx were elevated by catalytic combustion. Compared with catalyst Pt, the HC emissions were lower with catalyst rhodium (Rh) on the piston surface, but the emissions of NOx and CO were higher.
基金Supported by the National Natural Science Foundation of China (No.60421002).
文摘In this article, a multiobjective optimization strategy for an industrial naphtha continuous catalytic reform-ing process that aims to obtain aromatic products is proposed. The process model is based on a 20-lumped kinetics re-action network and has been proved to be quite effective in terms of industrial application. The primary objectives in-clude maximization of yield of the aromatics and minimization of the yield of heavy aromatics. Four reactor inlet tem-peratures, reaction pressure, and hydrogen-to-oil molar ratio are selected as the decision variables. A genetic algorithm, which is proposed by the authors and named as the neighborhood and archived genetic algorithm (NAGA), is applied to solve this multiobjective optimization problem. The relations between each decision variable and the two objectives are also proposed and used for choosing a suitable solution from the obtained Pareto set.
基金supported by the FWO-SBO project PlasMaCatDESIGN (FWO grant ID S001619N)the FWO fellowship of R. Michiels (FWO grant ID 1114921N)+2 种基金the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No 810182 – SCOPE ERC Synergy project)funded by the Research Foundation - Flanders (FWO)the Flemish Government。
文摘Plasma-catalytic dry reforming of CH_(4)(DRM) is promising to convert the greenhouse gasses CH_(4) and CO_(2) into value-added chemicals, thus simultaneously providing an alternative to fossil resources as feedstock for the chemical industry. However, while many experiments have been dedicated to plasma-catalytic DRM, there is no consensus yet in literature on the optimal choice of catalyst for targeted products,because the underlying mechanisms are far from understood. Indeed, plasma catalysis is very complex,as it encompasses various chemical and physical interactions between plasma and catalyst, which depend on many parameters. This complexity hampers the comparison of experimental results from different studies, which, in our opinion, is an important bottleneck in the further development of this promising research field. Hence, in this perspective paper, we describe the important physical and chemical effects that should be accounted for when designing plasma-catalytic experiments in general, high-lighting the need for standardized experimental setups, as well as careful documentation of packing properties and reaction conditions, to further advance this research field. On the other hand, many parameters also create many windows of opportunity for further optimizing plasma-catalytic systems.Finally, various experiments also reveal the lack of improvement in plasma catalysis compared to plasma-only, specifically for DRM, but the underlying mechanisms are unclear. Therefore, we present our newly developed coupled plasma-surface kinetics model for DRM, to provide more insight in the underlying reasons. Our model illustrates that transition metal catalysts can adversely affect plasmacatalytic DRM, if radicals dominate the plasma-catalyst interactions. Thus, we demonstrate that a good understanding of the plasma-catalyst interactions is crucial to avoiding conditions at which these interactions negatively affect the results, and we provide some recommendations for improvement. For instance, we believe that plasma-catalytic DRM may benefit more from higher reaction temperatures,at which vibrational excitation can enhance the surface reactions.