GCMC simulation of methane adsorption in idealized coal slit pores: pore-size effects on confinement, adsorption energetics, and spatial distribution

Q: What does this research mean for the field?

Pore size significantly influences the confinement, adsorption energetics, and spatial distribution of methane in idealized coal slit pores. Novelty: ClaimNovelty.INCREMENTAL. Consensus alignment: ConsensusAlignment.NEUTRAL.

Yuzheng Zhang; Chengwu Li; Min Hao; Mingjie Li; Wei Yang

doi:10.1039/d6nj01741j

January 1, 2026New Journal of Chemistry

GCMC simulation of methane adsorption in idealized coal slit pores: pore-size effects on confinement, adsorption energetics, and spatial distribution

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Key Points

The central aim is to explore how pore size affects methane adsorption in coal slit pores.
Constructed an idealized coal slit-pore model for analysis.
Conducted grand canonical Monte Carlo (GCMC) simulations to evaluate adsorption characteristics.
Analyzed the impact of pore size on confinement and adsorption energetics.
Increased pore size enhances methane adsorption capacity and alters spatial distribution.
Adsorption energy varies significantly with pore size, indicating varying effectiveness based on pore geometry.

Implication

Examines methane adsorption in coal nanopores, suggesting implications for energy storage.

Abstract

Methane adsorption in coal nanopores is governed by the molecular structure of coal and by nanoscale confinement. In this study, an idealized coal slit-pore model was constructed to examine pore-size-dependent...

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Cite This Study

Zhang et al. (2026) studied this question.

synapsesocial.com/papers/6a1fc49adee9eb8c0dce62a2 https://doi.org/10.1039/d6nj01741j

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GCMC simulation of methane adsorption in idealized coal slit pores: pore-size effects on confinement, adsorption energetics, and spatial distribution

Key Points

Implication

Abstract

Discussion

Cite This Study

GCMC simulation of methane adsorption in idealized coal slit pores: pore-size effects on confinement, adsorption energetics, and spatial distribution

Key Points

Implication

Abstract

Discussion

Cite This Study

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