• Chinese Core Periodicals
  • Chinese Core Journals of Science and Technology
  • RCCSE Chinese Authoritative Academic Journals
Email Alert RSS
Advanced Search
WANG Mingjian, JIA Baoshan, GONG Hongxiang, LI Shouguo, HUANG Wenzhen. Study on Microscopic Mechanism of Coal-oxygen Chemisorption Based on -CH2- Functional Group[J]. Safety in Coal Mines, 2019, 50(12): 41-45.
Citation: WANG Mingjian, JIA Baoshan, GONG Hongxiang, LI Shouguo, HUANG Wenzhen. Study on Microscopic Mechanism of Coal-oxygen Chemisorption Based on -CH2- Functional Group[J]. Safety in Coal Mines, 2019, 50(12): 41-45.
shu

Study on Microscopic Mechanism of Coal-oxygen Chemisorption Based on -CH2- Functional Group

More Information
  • Published Date: December 19, 2019
    Graphical Abstract
    • Abstract
  • According to the theories of quantum chemistry and organic chemistry, Gaussian09 software was used to simulate the chemical reaction process of coal-CH2- functional oxidative auto-ignition water generation and carbon monoxide. The B3LYP/6-311G method was used to optimize and calculate the chemical reaction in each step of the process. Search for each possible transition state and perform a intrinsic reaction path (IRC) calculation to confirm the authenticity of each transition state obtained. Finally, according to the molecular orbital theory, the charge density calculation was carried out. It was found that the sulfur element increased the oxidation activity of -CH2- by adding sulfur.
    • FullText(HTML)
    • References (23)
  • [1]
    曹凯.综放采空区遗煤自然发火规律及高效防治技术[D].徐州:中国矿业大学,2013.
    [2]
    唐一博.基于模型化合物的煤表面活性基团低温氧化研究[D].北京:中国矿业大学(北京),2014.
    [3]
    崔咏梅,廉新培,赵风云,等.白音华褐煤热萃取过程中热解气体的研究[J].煤炭技术,2016,35(12):292.
    [4]
    冯磊.姚桥矿近距离易自燃煤层采空区自然发火规律研究[D].淮南:安徽理工大学,2012.
    [5]
    张兰君.有机硫对煤自燃特性影响研究[D].北京:中国矿业大学(北京),2016.
    [6]
    陈润民.基于热解与热分析技术的阻化剂性能实验研究[D].淮南:安徽理工大学,2012.
    [7]
    孟亚宁.煤自燃指标气体与煤体微观结构变化关系研究[D].唐山:河北联合大学,2014.
    [8]
    徐精彩,许满贵,文虎,等.煤氧复合速率变化规律研究[J].煤炭转化,2000,23(3):63-66.
    [9]
    余明高,黄之聪,岳超平.煤最短自然发火期解算数学模型[J].煤炭学报,2001,26(5):516-519.
    [10]
    戚颖敏.我国煤矿火灾防治技术的现代发展与应用[J].煤,1999,8(2):4-6.
    [11]
    刘聪.低阶煤自燃氧化热分析动力学研究[D].唐山:华北理工大学,2017.
    [12]
    卜祝龙.煤自燃汽溶胶阻化防火装置及应用工艺研究[D].西安:西安科技大学,2014.
    [13]
    彭本信.应用热分析技术研究煤的氧化自燃过程[J].煤矿安全,1990(4):1-12.
    [14]
    杨漪.基于氧化特性的煤自燃阻化剂机理及性能研究[D].西安:西安科技大学,2015.
    [15]
    舒新前.煤炭自燃的热分析研究[J].中国煤田地质,1994,6(2):25-29.
    [16]
    李增华,王德明,陆伟,等.煤炭自燃特性研究的加速量热法[J].中国矿业大学学报,2003,32(6):16.
    [17]
    葛岭梅,李建伟.神府煤低温氧化过程中官能团结构演变[J].西安科技学院学报,2003,23(2):187.
    [18]
    葛岭梅,薛韩玲,徐精彩.对煤分子中活性基团氧化机理的分析[J].煤炭转化,2001,24(3):23-28.
    [19]
    刘松.高硫炼焦煤微波介电特性及脱硫机理研究[D].淮南:安徽理工大学,2016.
    [20]
    SEswaran, HGStenger.Energy[J]. Fuels, 2005, 19(6):2328-2324.
    [21]
    戴凤威.煤中含S活性基团与O2的反应机理[D].阜新:辽宁工程技术大学,2013.
    [22]
    周健.CO、CO2和CH4气体在煤表面吸附特性的量子化学研究[D].阜新:辽宁工程技术大学,2012.
    [23]
    吴康华.基于量子化学方法的煤氧吸附特性模拟实验研究[D].西安:西安科技大学,2011.
    • Related Articles

  • Related Articles

    [1]LI Gangqiang. Visualized analysis of mine emergency rescue in China based on bibliometrics[J]. Safety in Coal Mines, 2023, 54(7): 253-259.
    [2]WEN Xuelei. Advanced Detection System for Mine Rescue[J]. Safety in Coal Mines, 2019, 50(7): 161-164.
    [3]ZHENG Xuezhao, WANG Baoyuan, MA Li, GUO Jun. Research and Development of Key Technologies and Equipment for Vertical Mining Rescue[J]. Safety in Coal Mines, 2018, 49(12): 108-111.
    [4]ZHENG Xuezhao, LI Chengkang, WEN Hu, GUO Jun. Summary of Mine Disaster Rescue Life Information Detection Technology and Equipment[J]. Safety in Coal Mines, 2017, 48(12): 116-119.
    [5]XIE Xuecai, GONG Weidong, LIN Chen, LIANG Yueqiang. Analysis Study on Present Situation of Emergency Rescue in China’s Coal Mines[J]. Safety in Coal Mines, 2017, 48(11): 229-232,236.
    [6]LI Wenfeng, WANG Xiaohui. Management System of Equipment Used for Emergency Rescue in the Age of Cloud[J]. Safety in Coal Mines, 2017, 48(11): 116-118.
    [7]WEN Hu, ZHANG Duo, ZHENG Xuezhao. Research Progress and Trend of Life Detection Technology of Drilling and Rescue in Mine[J]. Safety in Coal Mines, 2017, 48(9): 85-88.
    [8]LIU Qingxiu, ZOU Zujie, FAN Dong, TIAN Hongliang, CHANG Jianghua. ZMK5200QJY40 Type Mine-used Rescue Hoister[J]. Safety in Coal Mines, 2017, 48(2): 117-119.
    [9]HUANG Junli. A Review of Foreign Technical Equipment on Coal Mine Emergency Rescue[J]. Safety in Coal Mines, 2016, 47(9): 233-236.
    [10]LI Chunxiang, LIU Yong, JIANG Chengyu. Discussion on Equipment Configuration Methods of Regional Mine Rescue Teams[J]. Safety in Coal Mines, 2015, 46(7): 242-244.

Catalog

    Get Citation
    XML
    Article views (92) PDF downloads (0) Cited by()
    Turn off MathJax
    Article Contents
    Abstract
    References
    Related Articles
    Links

    辽公网安备 21049802000106号　辽ICP备11020636号-9

    Website Copyright © CCTEG Shenyang Research Institute

    Address：No. 11 Binhe Road, Fushun Economic Development Zone, Liaoning　Postal Code：113122

    Tel：024-56616988/56616881　Email：mkaq@163.com

    Supported by: Beijing Renhe Information Technology Co., Ltd.  Baidu Analytics

    /

    DownLoad:  Full-Size Img  PowerPoint
    Return
    Return