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Updated: Jul 30, 2026

Adsorption Device Based on a Langatate Crystal Microbalance for High Temperature High Pressure Gas Adsorption in Zeolite H-ZSM-5
Published on: August 25, 2016
Temperature dependence of the Henry's law constant for hydrogen storage in NaA zeolites: a Monte Carlo simulation
João Miguel Sousa1, António Luís Ferreira, Duncan Paul Fagg
1Department of Physics and Institute for Nanostructures, Nanomodelling and Nanofabrication (13N), University of Aveiro, 3810-193, Portugal.
Abstract:
Grand canonical Monte Carlo simulations of hydrogen adsorption in zeolites NaA were carried out for a wide range of temperatures between 77 and 300 K and pressures up to 180 MPa. A potential model was used that comprised of three main interactions: van der Waals, coulombic and induced polarization by the electric field in the system. The computed average number of adsorbed molecules per unit cell was compared with available results and found to be in agreement in the regime of moderate to high pressures. The particle insertion method was used to calculate the Henry coefficient for this model and its dependence on temperature.
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