Mechanism analysis and simulation of methyl methacrylate production coupled chemical looping gasification system

作     者：Wende Tian Haoran Zhang Zhe Cui Xiude Hu Wende Tian;Haoran Zhang;Zhe Cui;Xiude Hu

作者机构：College of Chemical EngineeringQingdao University of Science&TechnologyQingdao 266042China State Key Laboratory of High-efficiency Utilization of Coal and Green Chemical EngineeringNingxia UniversityYinchuan 750000China 

出 版 物：《Chinese Journal of Chemical Engineering》 (中国化学工程学报（英文版）)

年 卷 期：2021年第34卷第9期

页      面：184-196页

核心收录：

学科分类：0710[理学-生物学] 0830[工学-环境科学与工程（可授工学、理学、农学学位）] 081702[工学-化学工艺] 0817[工学-化学工程与技术] 08[工学] 0703[理学-化学] 

基　　金：supported by the National Natural Science Foundation of China(21576143) Foundation of State Key Laboratory of High-efficiency Utilization of Coal and Green Chemical Engineering(2020-KF-13) 

主　　题：ReaxFF MD simulation CCLG-MMA system simulation Sensitivity analysis Plant wide control 

摘      要：Nowadays,the efficient and cleaner utilization of coal have attracted wide attention due to the rich coal and rare oil/gas resources structure in *** chemical looping gasification(CCLG)is a promising coal utilization technology to achieve energy conservation and emission reduction targets for highly pure synthesis *** a downstream product of synthesis gas,methyl methacrylate(MMA),is widely used as raw material for synthesizing polymethyl methacrylate and resin products with excellent *** this paper proposes a novel system integrating MMA production and CCLG(CCLG-MMA)processes aiming atenergy saving and low emission,in which the synthesis gas produced by CCLG and purified by dry methane reforming(DMR)reaction and Rectisol process reacts with ethylene for synthesizing ***,the reaction mechanism of CCLG is investigated by using Reactive force field(ReaxFF)MD simulation based on atomic models of char and oxygen carrier(Fe_(2)O_(3))for obtaining optimum reaction temperature of fuel reactor(FR).Secondly,the steady-state simulation of CCLG-MMA system is carried out to verify the feasibility of MMA *** amount of CO_(2)emitted by CCLG process and DMR reaction is 0.0028(kg CO_(2))^(-1)·(kg MMA)^(-1).The total energy consumption of the CCLG-MMA system is 45521 kJ·(kg MMA)^(-1),among which the consumption of MMA production part is 25293 k(·kg MMA)^(-1).The results show that the CCLG-MMA system meets CO_(2)emission standard and has lower energy consumption compared to conventional MMA production ***,one control scheme is designed to verify the stability of CCLG-MMA *** CCLG-MMA integration strategy aims to obtain highly pure MMA from multi-scale simulation perspectives,so this is an optimal design regarding all factors influencing cleaner MMA production.