Modeling of nitrogen adsorption phenomena in amorphous silica using molecular dynamics method

J. Fajar Fatriansyah, D. Dhaneswara, M. Hanif Abdurrahman, Falah Riski Kuskendrianto, M. Bachtiar Yusuf

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

1 Citation (Scopus)

Abstract

Nitrogen, as a widely element found in nature, is used to characterize the surface of materials. Brunauer-Emmett-Teller (BET) is a principle in which nitrogen is used as a characterization of materials because of its properties that can interact with solid and inert elements. BET can only produce quantitative data and does not show adsorption phenomena. Molecular dynamics simulation is conducted to observe the phenomena that occur during nitrogen adsorption in amorphous silica. In this study, the molecular dynamics simulation is arranged in a state of the isotherm, where the temperatures used are 77K, and applied pressures 1, 3, 5, 7, and 10 atm for each equilibrium. Lennard-Jones Potential is used in molecular dynamics simulation to simulate the interaction between atoms based on Coulomb force. Based on the results obtained from the simulation, it was found that 77°K is an optimal condition to adsorb nitrogen. The higher the pressure given in system, the amount of nitrogen adsorbed increases.

Original languageEnglish
Title of host publication8th National Physics Seminar 2019
EditorsFauzi Bakri, Firmanul Catur Wibowo, Iwan Sugihartono, Esmar Budi, Widyaningrum Indrasari, Umiatin, Teguh Budi Prayitno
PublisherAmerican Institute of Physics Inc.
ISBN (Electronic)9780735419162
DOIs
Publication statusPublished - 7 Nov 2019
Event8th National Physics Seminar 2019 - Jakarta, Indonesia
Duration: 29 Jun 201930 Jun 2019

Publication series

NameAIP Conference Proceedings
Volume2169
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Conference

Conference8th National Physics Seminar 2019
CountryIndonesia
CityJakarta
Period29/06/1930/06/19

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