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CH4 Adsorption Behavior on Coals with Different Ranks by Grand Canonical Monte Carlo Simulations.

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High-rank coals show better methane adsorption due to developed pores. Different strategies are needed for coalbed methane development based on coal rank and temperature conditions.

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Area of Science:

  • Geochemistry
  • Materials Science
  • Energy Science

Background:

  • Coalbed methane (CBM) is a significant unconventional gas resource.
  • Understanding methane adsorption on coals is crucial for CBM exploration and production.
  • Coal rank significantly influences coal properties and gas adsorption behavior.

Purpose of the Study:

  • To investigate methane (CH4) adsorption characteristics on coals of varying ranks under diverse temperature conditions.
  • To elucidate the molecular-level mechanisms governing methane adsorption in coals.
  • To provide insights for optimizing coalbed methane development strategies.

Main Methods:

  • Grand Canonical Monte Carlo (GCMC) simulations were utilized.
  • Three coal ranks were studied: lignite, bituminous coal, and anthracite.
  • Simulations were performed across two temperature ranges: low (293.15–323.15 K) and high (373.15–1173.15 K).

Main Results:

  • Higher-rank coals exhibit more developed pore structures and larger surface areas, enhancing CH4 adsorption sites.
  • Increased aromaticity and uniform surface energy in high-rank coals favor CH4 adsorption.
  • At low temperatures, adsorption is thermodynamically controlled (micropore filling); at high temperatures, it is kinetically controlled (surface coverage on larger pores), reducing the impact of coal rank.

Conclusions:

  • Methane adsorption behavior in coals is temperature-dependent and influenced by coal rank.
  • Optimized CBM development strategies should consider coal rank: increasing temperature for high-rank coals and decreasing pressure for low-rank coals.
  • Findings offer molecular-level understanding for CBM occurrence and development optimization.