Investigation of Methane Adsorption and Diffusion Behavior in Hydrogen Sulfide-Containing Coal Seams DOI
Zhihao Fu, Baoshan Jia, Hongyan Li

et al.

Langmuir, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 18, 2024

This study aimed to investigate the methane adsorption–diffusion problem in coal seams containing hydrogen sulfide. Molecular simulations and Materials Studio software were used difference behavior between sulfide adsorption, as well effect of on seams. Comprehensive data obtained influence methane's adsorption amount, probability density distribution, interaction energy, diffusion coefficient during adsorption. The results showed that content increased from 0 1.9%, porosity decreased 14.41% 11.25%, representing a 21.93% reduction. When adsorbed seam, amount was notably higher, with an heat 38.25 kJ/mol, which is 24.65 kJ/mol greater than for methane. An increase caused several adverse effects, including decrease Langmuir constant, number available sites within bituminous coal. Furthermore, energy molecules diminished

Language: Английский

Adsorption-Desorption Hysteresis of Gas Mixtures/Graphite System through molecular simulation: Implications for gas separation membrane technology DOI
Arshad Raza

Fluid Phase Equilibria, Journal Year: 2025, Volume and Issue: unknown, P. 114352 - 114352

Published: Jan. 1, 2025

Language: Английский

Citations

0
Tailoring the thermal transport properties of cellulose and lignin laser-induced graphene DOI
Ali Ghavipanjeh, Sadegh Sadeghzadeh

Computational Materials Science, Journal Year: 2024, Volume and Issue: 244, P. 113240 - 113240

Published: July 16, 2024

Language: Английский

Citations

1
Investigation of Methane Adsorption and Diffusion Behavior in Hydrogen Sulfide-Containing Coal Seams DOI
Zhihao Fu, Baoshan Jia, Hongyan Li

et al.

Langmuir, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 18, 2024

This study aimed to investigate the methane adsorption–diffusion problem in coal seams containing hydrogen sulfide. Molecular simulations and Materials Studio software were used difference behavior between sulfide adsorption, as well effect of on seams. Comprehensive data obtained influence methane's adsorption amount, probability density distribution, interaction energy, diffusion coefficient during adsorption. The results showed that content increased from 0 1.9%, porosity decreased 14.41% 11.25%, representing a 21.93% reduction. When adsorbed seam, amount was notably higher, with an heat 38.25 kJ/mol, which is 24.65 kJ/mol greater than for methane. An increase caused several adverse effects, including decrease Langmuir constant, number available sites within bituminous coal. Furthermore, energy molecules diminished

Language: Английский

Citations

1