Molecular Dynamics Simulation of Hydrogen Adsorption on Silica

2nd Mineral Processing and Technology International Conference

工业技术（总论）;矿业工程

Fatriansyah, J.F.^1 ; Dhaneswara, D.^1 ; Abdurrahman, M.H.^1 ; Kuskendrianto, F.R.^1 ; Yusuf, M.B.^1

Metallurgy and Materials Engineering Department, Faculty of Engineering, Universitas Indonesia, Indonesia^1

关键词: Future energies;    Hydrogen adsorption;    Hydrogen storage medium;    Molecular dynamics simulations;    Silicon-based materials;    Storage capability;   

Others  :  https://iopscience.iop.org/article/10.1088/1757-899X/478/1/012034/pdf
DOI  :  10.1088/1757-899X/478/1/012034

学科分类：工业工程学

来源: IOP

【 摘 要 】

Hydrogen is one of the future energy because it is enviromentally friendly. However, there still some problem in the storage method of hydrogen. In its development, there are many candidates that are still in research as a hydrogen storage medium. Also in several studies, it was found that Silicon based material is a promosing candidate. In this study we conduct the effect of various pressure to the adsorption of hydrogen on Silica with molecular dynamics simulation using Lennard-Jones potential. The simulations indicate that Silica has a good hydrogen storage capability where pressure and time affect the amount of hydrogen adsorbed.