Adsorption and Separation of H2S in HKUST-1 Metal Organic Frameworks: A Monte Carlo Simulation Study

DOI

10.2991/icimm-15.2015.56How to use a DOI?

Keywords

Metal Organic Framework; H2S; Separation; Adsorption

Abstract

H2S is a toxic gas and universally presents in natural gas, chemicals, and biomass syngas. It is very important to remove and separate it from gaseous mixtures. In this work, we simulated the adsorption of pure H2S and CH4 and their mixture on HKUST-1 under different temperatures and pressures by the grand canonical Monte Carlo (GCMC) method. The results show that the single-component adsorption capacity of H2S and CH4 increases with the increase of pressure, but decreases with the increase of temperature. In the low-pressure range, the adsorption of H2S is dominated by Coulomb interaction, while Van der Waals force plays a dominant role at high pressure. HKUST-1 shows a superior selectivity for H2S over CH4. Its selectivity increases with the increase of both temperature and pressure. The study indicates that HKUST-1 has a good potential on the H2S adsorption and separation.

Copyright

© 2015, the Authors. Published by Atlantis Press.

Open Access

This is an open access article distributed under the CC BY-NC license (http://creativecommons.org/licenses/by-nc/4.0/).

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TY  - CONF
AU  - Jing Xu
AU  - Pengpeng Sang
AU  - Lianming Zhao
AU  - Wei Xing
AU  - Zifeng Yan
PY  - 2015/07
DA  - 2015/07
TI  - Adsorption and Separation of H2S in HKUST-1 Metal Organic Frameworks: A Monte Carlo Simulation Study
BT  - Proceedings of the 5th International Conference on Information Engineering for Mechanics and Materials
PB  - Atlantis Press
SP  - 297
EP  - 300
SN  - 2352-5401
UR  - https://doi.org/10.2991/icimm-15.2015.56
DO  - 10.2991/icimm-15.2015.56
ID  - Xu2015/07
ER  -