(253ab) Sour Gas Sweetening By Adsorption in Zeolites
- Conference: AIChE Annual Meeting
- Year: 2016
- Proceeding: 2016 AIChE Annual Meeting
- Group: Computational Molecular Science and Engineering Forum
Monday, November 14, 2016 - 6:00pm-8:00pm
We present here the development of a new hydrogen sulfide force field that accurately describes a wide set of physical properties such as the pure-component and binary vaporâ??liquid equilibria with CH4 and CO2, the liquid and solid structures, the relative permittivity, the triple point, and the gas-phase diffusion behavior. Using this new H2S model, we have computationally investigated separation using various zeolitic frameworks and have identified promising sorbents for gas sweetening.[2,3]
 M. S. Shah, M. Tsapatsis, and J. I. Siepmann, â??Development of the transferable potentials for phase equilibria model for hydrogen sulfide,â?? J. Phys. Chem. B 2015, 119, 7041â??7052.
 M. S. Shah, M. Tsapatsis, and J. I. Siepmann, â??Monte Carlo Simulations Probing the Adsorptive Separation of Hydrogen Sulfide/Methane Mixtures using All-silica Zeolites,â?? Langmuir 2015, 31, 12268â??12278.
Â M. S. Shah, M. Tsapatsis, and J. I. Siepmann, â??Identifying Optimal Zeolitic Sorbents for Sweetening of Highly Sour Natural Gas,â?? Angew. Chem. Intl. Ed. 2016, 55, 5938â??5942.