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Reaction mechanism of methyl nitrite dissociation during co catalytic coupling to dimethyl oxalate:A density functional theory study

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Chinese Journal of chemical Engineering 2016年第1期24卷 132-139页

作者： Chen Fan Man Luo Wende Xiao Key Laboratory of Advanced Control and Optimization for Chemical Processes Ministry of Education East China University of Science and Technology (ECUST) School of Chemistry and Chemical Engineering Shanghai Jiao Tong University (SJTU)

Dissociation of methyl nitrite is the first step during CO catalytic coupling to dimethyl oxalate followed by hydrogenation to ethyl glycol in a typical coal to liquid process. In this work, the first-principle calculations based on density functional theory were performed to explore the reaction mechanism for the non-catalytic dissociation of methyl nitrite in the gas phase and the catalytic dissociation of methyl nitrite on Pd(111) surface since palladium supported on alpha-alumina is the most effective catalyst for the coupling. For the non-catalytic case, the calculated results show that the CH_3O–NO bond will break with a bond energy of 1.91 eV, and the produced CH_3O radicals easily decompose to formaldehyde, while the further dissociation of formaldehyde in the gas phase is difficult due to the strong C–H bond. On the other hand, the catalytic dissociation of methyl nitrite on Pd(111) to the adsorbed CH_3O and NO takes place with a small energy barrier of 0.03 eV. The calculated activation energies along the proposed reaction pathways indicate that(i) at low coverage, a successive dehydrogenation of the adsorbed CH_3O to CO and H is favored while(ii) at high coverage, hydrogenation of CH_3O to methanol and carbonylation of CH_3O to methyl formate are more preferred. On the basis of the proposed reaction mechanism,two meaningful ways are proposed to suppress the dissociation of methyl nitrate during the CO catalytic coupling to dimethyl oxalate.

关键词： Methyl nitrite Catalytic Non-catalytic Dissociation Density functional theory

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Finite time boundedness of switched delay systems by sliding mode technique 36

Finite time boundedness of switched delay systems by sliding...

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第36届中国控制会议

作者： Haijuan Zhao Yugang Niu Tinggang Jia Key Laboratory of Advanced Control and Optimization for Chemical Process(East China University of Science and Technology) Ministry of Education Automation Division of Shanghai Electric Group Co. Ltd.

ISBN: (纸本)9781538629185

In this paper,the finite-time boundedness（FTB） problem of sliding mode control（SMC） is investigated for a class of switched delay systems subject to uncertain parameter and nonlinear perturbation.A SMC law is constructed to drive the state trajectories onto the integral sliding surface during a finite time *** FTB of the controlled systems on both reaching phase and siding motion phase are analyzed by means of average dwell time ***,a numerical example is given.

关键词： Switched delay system Finite time boundedness Sliding mode control Average dwell time

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Kinetics of COx formation in the homogeneous metal/bromide-catalyzed aerobic oxidation of p-xylene

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International Journal of chemical Kinetics 2012年第5期44卷 277-283页

作者： Sun, Weizhen An, Meiying Zhong, Weimin Zhao, Ling State Key Laboratory of Chemical Engineering East China University of Science and Technology Shanghai 200237 China Key Laboratory of Advanced Control and Optimization for Chemical Processes Ministry of Education East China University of Science and Technology Shanghai 200237 China

The homogeneous metal/bromide-catalyzed aerobic oxidation of p-xylene with different catalyst concentrations was carried out, and the formation kinetics of COx including CO2 and CO was measured. The simplified elementary steps for the formation of COx were summarized, on the basis of which the kinetic model of COx formation was established. The model calculations were in good agreement with the experimental data for the CO2 formation and also successfully captured the first peak of the CO formation rate as a function of time. The obtained rate constants have narrow confidence intervals, among which only k1 and k2 are the adjustable parameters for different catalyst conditions. The decarboxylation of the carboxyl group in aromatic acid, the oxidation of the aryl radical, and the destruction of acetic acid are the major sources of CO2. The formation of CO mainly results from the destruction of acetic acid and the oxidation of the aryl radical. Copyright © 2012 Wiley Periodicals, Inc.

关键词： Acetic acid

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Thermal Decomposition Behavior of Terephthalate in Inert Gas

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China Petroleum processing & Petrochemical Technology 2017年第3期19卷 1-8页

作者： Yu Jing Wang Jiming Key Laboratory of Advanced Control and Optimization for Chemical Process Ministry of EducationEast China University of Science and TechnologyShanghai 200237 DuPont China Holding Co. LtdShanghai 201203 School of Chemical Engineering East China University of Science and TechnologyShanghai 200237

Several metal terephthalates were synthesized by hydrothermal solvent method. Firstly, the coordination type of metal ions and carboxylates in terephthalate was studied by FTIR spectroscopy. The results showed that the binding type of zinc terephthalate and aluminum terephthalate are mainly bridged coordination, while the chelating coordination mode dominated in the magnesium terephthalate and cerium terephthalate. Secondly, the thermal decomposition mechanism of zinc terephthalate in nitrogen atmosphere was studied by TG and Py-GC/MS techniques. Finally, the activation energy of the thermal decomposition process was obtained by the Friedman method and the Flynn-Wall-Ozawa(FWO) method, and the most probabilistic function was obtained by multiple linear fitting. The results showed that the decomposition process of zinc terephthalate was an one-step reaction and the activation energy was equal to 187.38 kJ/mol.

关键词： terephthalate TG/DTG thermal decomposition mechanism kinetics

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Policy Gradient Adaptive Dynamic Programming for Model-Free Multi-Objective Optimal control

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IEEE/CAA Journal of Automatica Sinica 2024年第4期11卷 1060-1062页

作者： Hao Zhang Yan Li Zhuping Wang Yi Ding Huaicheng Yan the Department of Control Science and Engineering Tongji UniversityShanghai 200092China the Key Laboratory of Advanced Control and Optimization for Chemical Processes of Ministry of Education School of Information Science and EngineeringEast China University of Science and TechnologyShanghai 200237China

Dear Editor,In this letter,the multi-objective optimal control problem of nonlinear discrete-time systems is investigated.A data-driven policy gradient algorithm is proposed in which the action-state value function is... 详细信息

关键词： policy gradient Optimal

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Active training sample selection and updating strategy for near-infrared model with an industrial application

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Chinese Journal of chemical Engineering 2019年第11期27卷 2749-2758页

作者： Kaixun He Kai Wang Yayun Yan College of Electrical Engineering and Automation Shandong University of Science and TechnologyQingdao 266590China Key Laboratory of Advanced Control and Optimization for Chemical Processes Ministry of EducationEast China University of Science and TechnologyShanghai 200237China

Training sample selection is widely accepted as an important step in developing a near-infrared(NIR) spectroscopic model. For industrial applications, the initial training dataset is usually selected empirically. This process is time-consuming, and updating the structure of the modeling dataset online is difficult. Considering the static structure of the modeling dataset, the performance of the established NIR model could be degraded in the online process. To cope with this issue, an active training sample selection and updating strategy is proposed in this work. The advantage of the proposed approach is that it can select suitable modeling samples automatically according to the process information. Moreover, it can adjust model coefficients in a timely manner and avoid arbitrary updating effectively. The effectiveness of the proposed method is validated by applying the method to an industrial gasoline blending process.

关键词： Near-infrared spectroscopy chemical processes process systems Soft sensor Gasoline blending

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Distributed Energy Seheduling of Islanded Microgrid Based on Potential Game

Distributed Energy Seheduling of Islanded Microgrid Based on...

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2020 Chinese Automation Congress, CAC 2020

作者： Chen, Lei Niu, Yugang Jia, Tinggang East China University of Science and Technology The Key Laboratory of Advanced Control and Optimization for Chemical Process Shanghai China Shanghai Electric Automation Group Shanghai200023 China

ISBN: (纸本)9781728176871

Microgrid is an advanced application of distributed renewable energy utilization. With the development of energy Internet technology, microgrid is characterized by strong decentralization and high intelligence. The operation optimization of microgrid requires higher individual autonomy and rational ability, and the traditional centralized optimization is difficult to meet this development trend. In this paper, in order to better reflect the high autonomy of microgrid energy management, a distributed optimization based on potential game is proposed by comprehensively considering multiple independent individuals in the microgrid. Under this strategy, each individual makes decisions with the goal of maximizing their own profits, and completes the iterative solution of the strategy through communication with each other. Finally, a simulation example of islanded microgrid is used to verify the results, which shows that the individual autonomy and intelligence of the microgrid were improved, and the feasibility and effectiveness of the strategy are verified. © 2020 IEEE.

关键词： Energy management

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Adaptive output consensus for heterogeneous nonlinear multi-agent systems with multi-type input constraints under switching-directed topologies

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control Theory and Technology 2021年第2期19卷 260-272页

作者： Wei Zhang Zhaoxu Yu Shugang Li Key Laboratory of Advanced Control and Optimization for Chemical Processes of Ministry of Education East China University of Science and TechnologyShanghai200237China Department of Information Management Shanghai UniversityShanghai200444China

This study concentrates on solving the output consensus problem for a class of heterogeneous uncertain nonstrict-feedback nonlinear multi-agent systems under switching-directed communication topologies,in which all followers are subjected to multi-type input constraints such as unknown asymmetric saturation,unknown dead-zone and their integration.A unified representation is presented to overcome the difficulties originating from multi-agent input ***,the uncertain system functions in a non-lower triangular form and the interaction terms among agents are dealt with by exploiting the fuzzy logic systems and their special ***,by introducing a nonlinear filter to alleviate the problem of“explosion of complexity”during the backstepping design,a distributed common adaptive control protocol is proposed to ensure that the synchronization errors converge to a small neighborhood of the origin despite the existence of multiple input constraints and arbitrary switching communication *** stability analysis and simulation results are conducted to show the effectiveness and performance of the proposed control methodology.

关键词： Nonlinear multi-agent system Output consensus Fuzzy logic system Input constraint Switching topology

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Sliding Mode Estimation-based control for Stochastic Time Delays in Networked Micorgrid 36

Sliding Mode Estimation-based Control for Stochastic Time De...

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第36届中国控制会议

作者： Xuping Zhou Huaicheng Yan Chen Peng Fuwen Yang Key Laboratory of Advanced Control and Optimization for Chemical Process of Ministry of Education East China University of Science and Technology School of Mechatronic Engineering and Automation Shanghai University School of Engineering Griffith University

ISBN: (纸本)9781538629185

This paper proposes a sliding mode estimation-based control to solve the stochastic time delay problem in networked microgrid,because stochastic delay has a great impact on the stability and performance of large power grids（LPG）.To analyze the delay effects,the microgrid system model is derived according to the characteristics of the inverter in grid-connected *** on the microgrid system model,the stochastic delay estimation with learning parameter and delayed states are *** control signal designed by sliding mode control（SMC） and the learning parameter of delay estimation are adaptively changed in the sliding mode estimation-based control *** reaching law（ERL） is proposed to solve the chattering issues of *** 3.3 KW microgrid parameters are added into simulation to verify the effectiveness and performance of the proposed control strategy.

关键词： Networked Microgrid Sliding Mode control(SMC) Stochastic Delay Estimation

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A Discrete Artificial Bee Colony Algorithm for Minimizing the Total Flow Time in the Blocking Flow Shop Scheduling Problem

A Discrete Artificial Bee Colony Algorithm for Minimizing th...

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第23届过程控制会议

作者： Guanlong Deng Zhenhao Xu Xingsheng Gu Key Laboratory of Advanced Control and Optimization for Chemical Process Ministry of Education Eas Key Laboratory of Advanced Control and Optimization for Chemical Process Ministry of Education Eas

A discrete artificial bee colony algorithm is proposed for solving the blocking flow shop scheduling problem with total flow time criterion. Firstly, the solution in the algorithm is represented as job permutation. Secondly, an initialization scheme based on a variant of the NEH heuristic and a local search is designed to construct the initial population with both quality and diversity. Thirdly, based on the idea of iterated greedy algorithm, some newly designed schemes for employed bee, onlooker bee and scout bee are presented. The performance of the proposed algorithm is tested on the well-known Taillard benchmark set, and computational results demonstrate the effectiveness of the discrete artificial bee colony algorithm. In addition, the best known solutions of the benchmark set are provided for the blocking flow shop scheduling problem with total flow time criterion.

关键词： Flow shop scheduling Blocking Artificial bee colony algorithm Total flow time

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