SCI和EI收录∣中国化工学会会刊

中国化学工程学报 ›› 2021, Vol. 37 ›› Issue (9): 184-196.DOI: 10.1016/j.cjche.2021.02.024

• Resources and Environmental Technology • 上一篇    下一篇

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

Wende Tian1, Haoran Zhang1, Zhe Cui1, Xiude Hu2   

  1. 1. College of Chemical Engineering, Qingdao University of Science & Technology, Qingdao 266042, China;
    2. State Key Laboratory of High-efficiency Utilization of Coal and Green Chemical Engineering, Ningxia University, Yinchaun 750000, China
  • 收稿日期:2020-08-30 修回日期:2021-01-05 出版日期:2021-09-28 发布日期:2021-11-02
  • 通讯作者: Zhe Cui
  • 基金资助:
    The authors gratefully acknowledge that this work is supported by the National Natural Science Foundation of China (21576143) and Foundation of State Key Laboratory of High-efficiency Utilization of Coal and Green Chemical Engineering (2020-KF-13).

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

Wende Tian1, Haoran Zhang1, Zhe Cui1, Xiude Hu2   

  1. 1. College of Chemical Engineering, Qingdao University of Science & Technology, Qingdao 266042, China;
    2. State Key Laboratory of High-efficiency Utilization of Coal and Green Chemical Engineering, Ningxia University, Yinchaun 750000, China
  • Received:2020-08-30 Revised:2021-01-05 Online:2021-09-28 Published:2021-11-02
  • Contact: Zhe Cui
  • Supported by:
    The authors gratefully acknowledge that this work is supported by the National Natural Science Foundation of China (21576143) and Foundation of State Key Laboratory of High-efficiency Utilization of Coal and Green Chemical Engineering (2020-KF-13).

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 China. Coal chemical looping gasification (CCLG) is a promising coal utilization technology to achieve energy conservation and emission reduction targets for highly pure synthesis gas. As a downstream product of synthesis gas, methyl methacrylate (MMA), is widely used as raw material for synthesizing polymethyl methacrylate and resin products with excellent properties. So this paper proposes a novel system integrating MMA production and CCLG (CCLG-MMA) processes aiming at "energy 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 MMA. Firstly, the reaction mechanism of CCLG is investigated by using Reactive force field (ReaxFF) MD simulation based on atomic models of char and oxygen carrier (Fe2O3) 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 production. The amount of CO2 emitted by CCLG process and DMR reaction is 0.0028 (kg CO2)-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 kJ·(kg MMA)-1. The results show that the CCLG-MMA system meets CO2 emission standard and has lower energy consumption compared to conventional MMA production process. Finally, one control scheme is designed to verify the stability of CCLG-MMA system. The 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.

关键词: ReaxFF MD simulation, CCLG-MMA system simulation, Sensitivity analysis, Plant wide control

Abstract: Nowadays, the efficient and cleaner utilization of coal have attracted wide attention due to the rich coal and rare oil/gas resources structure in China. Coal chemical looping gasification (CCLG) is a promising coal utilization technology to achieve energy conservation and emission reduction targets for highly pure synthesis gas. As a downstream product of synthesis gas, methyl methacrylate (MMA), is widely used as raw material for synthesizing polymethyl methacrylate and resin products with excellent properties. So this paper proposes a novel system integrating MMA production and CCLG (CCLG-MMA) processes aiming at "energy 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 MMA. Firstly, the reaction mechanism of CCLG is investigated by using Reactive force field (ReaxFF) MD simulation based on atomic models of char and oxygen carrier (Fe2O3) 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 production. The amount of CO2 emitted by CCLG process and DMR reaction is 0.0028 (kg CO2)-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 kJ·(kg MMA)-1. The results show that the CCLG-MMA system meets CO2 emission standard and has lower energy consumption compared to conventional MMA production process. Finally, one control scheme is designed to verify the stability of CCLG-MMA system. The 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.

Key words: ReaxFF MD simulation, CCLG-MMA system simulation, Sensitivity analysis, Plant wide control