Monte Carlo simulation of hydrogen adsorption on Ni surfaces

doi:10.1007/s11467-007-0024-5

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Front. Phys. ›› 2007, Vol. 2 ›› Issue (2) : 199-203. DOI: 10.1007/s11467-007-0024-5

Monte Carlo simulation of hydrogen adsorption on Ni surfaces

WANG Rui, DENG Hui-qiu, YUAN Xiao-jian, HU Wang-yu

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Abstract

In the present paper the adsorption kinetics of the hydrogen molecule on the (111) and (100) surfaces have been studied with the model proposed by Panczyk and the grand canonical Monte Carlo simulation method. The equilibrium adsorption isotherms are calculated at five different temperatures ranging from 314 K to 376 K and compared with the experimental equilibrium adsorption isotherms. The effects of temperature and pressure on coverage are also analyzed.

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WANG Rui, DENG Hui-qiu, YUAN Xiao-jian, HU Wang-yu. Monte Carlo simulation of hydrogen adsorption on Ni surfaces. Front. Phys., 2007, 2(2): 199‒203 https://doi.org/10.1007/s11467-007-0024-5