A theoretical insight about co-pyrolysis reaction of natural gas and coal  

作　　者：Mingjun Pan Chengkai Jin Bingying Han Runping Ye Rongbin Zhang Gang Feng 

机构地区：[1]School of Future Technology,School of Chemistry and Chemical Engineering,Institute of Applied Chemistry,Nanchang University,Nanchang 330031,China [2]School of Chemistry and Chemical Engineering,Nanchang University,Nanchang 330031,China [3]State Key Laboratory of Clean and Efficient Coal Utilization,Taiyuan University of Technology,Taiyuan 030024,China

出　　处：《Chinese Journal of Chemical Engineering》2023年第11期220-225,共6页中国化学工程学报（英文版）

基　　金：supported by the National Natural Science Foundation of China(21875096);the Natural Science Foundation of Jiangxi Province,China(20181BCD40004,No.20224BAB213015)。

摘　　要：The co-pyrolysis of natural gas and coal is a promising way for the production of acetylene due to its high efficiency for energy and hydrogen utilization.This work investigated the thermodynamics for the copyrolysis reaction of natural gas and coal using density functional theory.The favorable reaction conditions are presented in the form of phase diagrams.The calculation results show that the extra amount of methane may benefit the production of acetylene in the co-pyrolysis reaction,and the C/H ratio of 1:1,temperature around 3000 K and pressure at 0.1 MPa are most favorable.The results would provide basic data for related industrial process for the production of acetylene.

关 键 词：Natural gas THERMODYNAMICS Hydrocarbons CO-PYROLYSIS Gibbs free energy Density functional theory 

分 类 号：TQ530.2[化学工程—煤化学工程] TQ221.242