Chinese Science Citation Database Core Library(CSCD)Source Journals
Chinese Core Journals
Chinese Core Science and Technology Journals
RCCSE China Authoritative Academic Journal(A+)
Dutch Digest and Citation Database (Scopus)

Experiment and molecular simulation of cellulose during chemical looping depolymerization with iron-based oxygen carriers

2023 No. 04
339
274
OnlineView
Download
Authors:
GUO Wenqian
MENG Liangliang
GENG Chang
LI Na
WU Ge
ZHANG Hui
GUO Qingjie
BAI Hongcun
Unit:
State Key Laboratory of High-Efficiency Utilization of Coal and Green Chemical Engineering,Ningxia University
College of Chemistry and Chemical Engineering,Ningxia University
Abstract:

To explore the mechanism and process of chemical looping depolymerization for cellulose in the presence of iron-based oxygen carriers, the characteristics of chemical looping combustion for cellulose at different heating rates were investigated by thermogravimetric analysis tests. The activation energy of cellulose during chemical looping combustion was calculated using chemical reaction kinetics and its kinetic mechanism was revealed. The microscopic reaction network of cellulose during chemical looping combustion was elucidated from the microscopic atomic scale by using ReaxFF MD simulation synthesis technique.The thermal analysis results show that the addition of iron-based oxygen carriers can reduce the onset temperature of cellulose chemical looping depolymerization and that the lattice oxygen released by iron-based oxygen carriers can help promote the chemical looping depolymerization of cellulose. Chemical looping combustion process of cellulose are divided into three different stages: volatile analysis out combustion, semi-coke conversion combustion and coke combustion stages.The kinetic model shows that the activation energy of cellulose in the thermal conversion process at different conversion rates is about 220-405 kJ/mol, with the highest activation energy of the reaction occurring at stage 3. Finally,ReaxFF MD simulations show that the overall chemical looping combustion process of cellulose follows the free radical chain reaction theory. The reactive radicals generated by cellulose cleavage reacted with the lattice oxygen releasing the oxygen carrier form intermediates such as 2-hydroxyacetone, which then under go further radical reactions to produce CO2. A complex reaction network for the release of CO2 production during the chemical looping depolymerization of cellulose in the presence of oxygen carriers is finally obtained.

Keywords:
chemical looping combustion
biomass
cellulose
ReaxFF MD
reaction mechanism
Citation format:
郭文倩(1998—),女,山西大同人,硕士研究生。E-mail:guowenqian_qian@163.com
Chart:
Articles:
--
Citation format:
GUO Wenqian,MENG Liangliang,GENG Chang,et al.Experiment and molecular simulation of cellulose during chemical looping depolymerization with iron-based oxygen carriers[J].Clean Coal Technology,2023,29(4):137-147.

About Journal

  • Executive director

    China Coal Science and Industry Group Co., Ltd

  • Sponsored by

    Coal Science Research Institute Co., Ltd
    Coal Industry Clean Coal Engineering
    Technology Research Center

  • Editor in Chief

    XIE Qiang

  • Vice Editor-in-Chief

    YU Chang
    SHI Yixiang
    ZHAO Yongchun
    DUAN Linbo
    CAO Jingpei
    ZENG Jie

  • Publication Frequencies

    Monthly

  • ISSN

    1006-6772

  • CN

    11-3676/TD

Covered by

  • CSTPCD
  • RCCSE(A+)
  • AJ
  • EBSCO host
  • Ulrichsweb
  • JST
  • Scopus

Contact us

New Media

  • Meichuanmei
    Meichuanmei
  • Clean Coal Technology
    Clean Coal Technology
  • Online Journals
    Online Journals
Website Copyright © {year} Clean Coal Technology
京ICP备05086979号-19
地址:Coal Tower, Hepingli, Chaoyang District, Beijing, China.
邮编:100013
Tel:86-10-87986452 / 010-87986451
E-mail:jjmjs@263.net