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

doi:10.1016/j.cjche.2023.05.007

中国化学工程学报 ›› 2023, Vol. 63 ›› Issue (11): 220-225.DOI: 10.1016/j.cjche.2023.05.007

• Full Length Article • 上一篇下一篇

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

Mingjun Pan¹, Chengkai Jin², Bingying Han³, Runping Ye¹, Rongbin Zhang^1,2, Gang Feng^1,2

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

收稿日期:2022-12-05 修回日期:2023-05-01 出版日期:2023-11-28 发布日期:2024-01-08
通讯作者: Gang Feng,E-mail:fenggang@ncu.edu.cn
基金资助:
This paper is dedicated to Prof. Haijun Jiao on the occasion of his 60th birthday. This work is supported by the National Natural Science Foundation of China (21875096), and the Natural Science Foundation of Jiangxi Province, China (20181BCD40004, No. 20224BAB213015). State Key Laboratory of Clean and Efficient Coal Utilization of Taiyuan University of Technology (SKL2022007). Gang Feng thanks Prof. Ruo-Yu Hong, Jiyu Zhang (Fuzhou University) and Jian Zhou (SRIPT-SINOPEC) for helpful disscussions.

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

Mingjun Pan¹, Chengkai Jin², Bingying Han³, Runping Ye¹, Rongbin Zhang^1,2, Gang Feng^1,2

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

Received:2022-12-05 Revised:2023-05-01 Online:2023-11-28 Published:2024-01-08
Contact: Gang Feng,E-mail:fenggang@ncu.edu.cn
Supported by:
This paper is dedicated to Prof. Haijun Jiao on the occasion of his 60th birthday. This work is supported by the National Natural Science Foundation of China (21875096), and the Natural Science Foundation of Jiangxi Province, China (20181BCD40004, No. 20224BAB213015). State Key Laboratory of Clean and Efficient Coal Utilization of Taiyuan University of Technology (SKL2022007). Gang Feng thanks Prof. Ruo-Yu Hong, Jiyu Zhang (Fuzhou University) and Jian Zhou (SRIPT-SINOPEC) for helpful disscussions.

摘要/Abstract

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 co-pyrolysis 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

Abstract: 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 co-pyrolysis 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.

Key words: Natural gas, Thermodynamics, Hydrocarbons, Co-pyrolysis, Gibbs free energy, Density functional theory

Mingjun Pan, Chengkai Jin, Bingying Han, Runping Ye, Rongbin Zhang, Gang Feng. A theoretical insight about co-pyrolysis reaction of natural gas and coal[J]. 中国化学工程学报, 2023, 63(11): 220-225.

Mingjun Pan, Chengkai Jin, Bingying Han, Runping Ye, Rongbin Zhang, Gang Feng. A theoretical insight about co-pyrolysis reaction of natural gas and coal[J]. Chinese Journal of Chemical Engineering, 2023, 63(11): 220-225.

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

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

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