Open AccessThe effect of temperature and pressure on nitrogen adsorption in amorphous silica
Author(s) -
Jaka Fajar Fatriansyah,
Donanta Dhaneswara,
Falah Riski Kuskendrianto,
Muhammad Hanif Abdurrahman,
Mukramah Yusuf,
F. A. Abdillah
Publication year - 2021
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/2070/1/012045
Subject(s) - adsorption , nitrogen , molecular dynamics , amorphous solid , inert gas , bet theory , nitrogen gas , inert , materials science , thermodynamics , amorphous silica , chemistry , chemical engineering , computational chemistry , organic chemistry , composite material , physics , engineering
Nitrogen is an element that is widely found in nature can be used as a gas that is absorbed to help characterize materials, especially on the surface of the material. According to Brunauer – Emmet - Teller (BET) is a theory where nitrogen is used as a gas characterizing material because of its ability to high purity and can interact with solid elements and inert. BET can only produce quantitative data and does not show adsorption phenomena. Molecular dynamics simulation is conducted to observe the phenomena during nitrogen adsorption in amorphous silica, a porous material with a large surface area. In this study, the molecular dynamics simulations are arranged in a state of isotherm, where the temperature used is three variables: 77 K, 100 K, and 150 K in the variation of pressure used 1, 3, 5, 7, and 10 atm for each equilibrium. In molecular dynamics simulation to simulate the interaction between atoms based on Coulomb force is using Lennard-Jones Potential. Based on the simulation results obtain, it was found that at 77 K temperature had the optimal ability to adsorb nitrogen compared to 100 K and 150 K. The higher the pressure given in the system, it will increase the amount of nitrogen adsorbed.