TY - GEN
T1 - Modeling of nitrogen adsorption phenomena in amorphous silica using molecular dynamics method
AU - Fatriansyah, J. Fajar
AU - Dhaneswara, D.
AU - Abdurrahman, M. Hanif
AU - Kuskendrianto, Falah Riski
AU - Yusuf, M. Bachtiar
N1 - Publisher Copyright:
© 2019 Author(s).
PY - 2019/11/7
Y1 - 2019/11/7
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85075829691&partnerID=8YFLogxK
U2 - 10.1063/1.5132651
DO - 10.1063/1.5132651
M3 - Conference contribution
AN - SCOPUS:85075829691
T3 - AIP Conference Proceedings
BT - 8th National Physics Seminar 2019
A2 - Bakri, Fauzi
A2 - Wibowo, Firmanul Catur
A2 - Sugihartono, Iwan
A2 - Budi, Esmar
A2 - Indrasari, Widyaningrum
A2 - Umiatin, null
A2 - Prayitno, Teguh Budi
PB - American Institute of Physics Inc.
T2 - 8th National Physics Seminar 2019
Y2 - 29 June 2019 through 30 June 2019
ER -