Modeling of Hydrogen Adsorption Phenomenon in Amorphous Silica Using Molecular Dynamics Method

  • Muhammad Hanif Abdurrahman University of Indonesia
  • J. F. Fatriansyah University of Indonesia
  • D. Dhaneswara University of Indonesia
  • F. R. Kuskendrianto University of Indonesia
  • M. B. Yusuf University of Indonesia
Keywords: hydrogen storage, amorphous silica, molecular dynamics simulation, Lennard-Jones potential, adsorption


Hydrogen is one of the future source energy because it has environmentally friendly. However, there are still some problems in the storage method of hydrogen. In several studies, it was found that Silicon based material is a promising candidate as a hydrogen storage medium. In this study, the effect of various temperature and pressure to the adsorption of hydrogen on amorphous silica with molecular dynamics simulation using Lennard-Jones potential. In this simulation, the temperature that i used are 233, 253, 273 and 293 K with pressure at each temperature are 1, 2, 5, 10, and 15 atm. The simulations had successfully visualized and indicate that amorphous silica has a good hydrogen storage capability where temperature and pressure affect the amount of hydrogen adsorbed. At low temperature (233 K), the hydrogen concentrations are relatively high than at higher temperature. The best result of hydrogen capacity is 0.048116% that occurred at high pressure (15 atm) with low temperature (233 K) condition.

*The paper has been selected from a collaboration with IPST and 7th ICFCHT 2019 for a conference entitled "Innovation in Polymer Science and Technology (IPST) 2019 in Conjunction with 7th International Conference on Fuel Cell and Hydrogen Technology (ICFCHT 2019) on October 16th - 19th at The Stones Hotel Legian, Bali, Indonesia"


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Author Biography

Muhammad Hanif Abdurrahman, University of Indonesia
Metallurgy and Materials Engineering Department, Faculty of Engineering, University of Indonesia, Kampus Baru UI Depok, Depok, 16424, Jawa Barat, Indonesia.


Abe, J. O., Popoola, A. P. I., Ajenifuja, E., & Popoola, O. M. (2019). Hydrogen energy , economy and storage : Review and recommendation. International Journal of Hydrogen Energy, 44(29), 15072–15086.

Ammendola, P., Raganati, F., & Chirone, R. (2017). CO2 adsorption on a fine activated carbon in a sound assisted fluidized bed: Thermodynamics and kinetics. Chemical Engineering Journal, 322.

Dalebrook, A. F., Gan, W., & Grasemann, M. (2013). Hydrogen storage : beyond conventional methods. Chemical Communications, 49, 8735–8751.

Dhaneswara, D., Utami, S., Adriyani, A., Putranto, D. A., & Delayori, F. (2018). The Effect of Pluronic 123 Surfactant concentration on The N2 Adsorption Capacity of Mesoporous Silica SBA-15 : Dubinin-Astakhov Adsorption Isotherm Analysis, (April).

Du, X. M., Huang, Y., & Wu, E. D. (2011). Hydrogen Storage in A-type Zeolite by Grand Canonical Monte Carlo Simulation. Applied Mechanics and Materials, 55–57, 1518–1522. 10.4028/

Durbin, D. J., & Malardier-Jugroot, C. (2013). Review of hydrogen storage techniques for on board vehicle applications. International Journal of Hydrogen Energy, 38, 14595–14617.

Dürr, M., & Höfer, U. (2006). Dissociative adsorption of molecular hydrogen on silicon surfaces. Surface Science Reports, 61(12), 465–526.

Dutta, S. (2014). A review on production , storage of hydrogen and its utilization as an energy resource. Journal of Industrial and Engineering Chemistry, 20(4), 1148–1156.

Fatriansyah, J. F., Dhaneswara, D., Abdurrahman, M. H., Kuskendrianto, F. R., & Yusuf, M. B. (2019). Molecular Dynamics Simulation of Hydrogen Adsorption on Silica. IOP Conf. Series: Materials Science and Engineering, 478.

Gundiah, G., Govindaraj, A., Rajalakshmi, N., Dhathathreyan, K. S., & Rao, C. N. R. (2003). Hydrogen storage in carbon nanotubes and related materials. Journal of Materials Chemistry, (February).

Hudson, M. S. L., Dubey, P. K., Pukazhselvan, D., Pandey, S. K., Kumar, R., Raghubanshi, H., … Srivastava, O. N. (2009). Hydrogen energy in changing environmental scenario : Indian context. International Journal of Hydrogen Energy, 34(17), 7358–7367.

Li, Y., & Yang, R. T. (2006). Hydrogen Storage in Low Silica Type X Zeolites. The Journal of Physical Chemistry B, 17175–17181.

Marbán, G., & Valdés-solís, T. (2007). Towards the hydrogen economy? International Journal of Hydrogen Energy, 32, 1625–1637.

Mashayak, S. Y., & Aluru, N. R. (2012). Coarse-Grained Potential Model for Structural Prediction of Confined Water. Journal of Chemical Theory and Computation, 8, 1828–1840. |

Wu, C. Da, Fang, T. H., & Lo, J. Y. (2012). Effects of pressure, temperature, and geometric structure of pillared graphene on hydrogen storage capacity. International Journal of Hydrogen Energy, 37(19), 14211–14216.

Zhang, F., Zhao, P., Niu, M., & Maddy, J. (2016). The survey of key technologies in hydrogen energy storage. International Journal of Hydrogen Energy, 41(33), 14535–14552.

Zhang, Z., Liu, X., & Li, H. (2017). The grand canonical Monte Carlo simulation of hydrogen adsorption in single-walled carbon nanotubes. International Journal of Hydrogen Energy, 42(7), 4252–4258.

Zhou, L. (2005). Progress and problems in hydrogen storage methods. Renewable and Sustainable Energy Reviews, 9, 395–408.

Zubizarreta, L., Arenillas, A., & Pis, J. J. (2009). Carbon materials for H2 storage. International Journal of Hydrogen Energy, 34(10), 4575–4581.

Züttel, A. (2003). Materials for hydrogen storage. Materials Today, 6(9), 24–33.

How to Cite
Abdurrahman, M. H., Fatriansyah, J. F., Dhaneswara, D., Kuskendrianto, F. R., & Yusuf, M. B. (2020). Modeling of Hydrogen Adsorption Phenomenon in Amorphous Silica Using Molecular Dynamics Method. Indonesian Journal of Energy, 3(1), 25-33.