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Understanding the Pathway of Gas Hydrate Formation with Porous Materials for Enhanced Gas Separation.

ABSTRACT: The reason that the stoichiometry of gas to water in artificial gas hydrates formed on porous materials is much higher than that in nature is still ambiguous. Fortunately, based on our experimental thermodynamic and kinetic study on the gas hydrate formation behavior with classic ordered mesoporous carbon CMK-3 and irregular porous activated carbon combined with density functional theory calculations, we discover a microscopic pathway of the gas hydrate formation on porous materials. Two interesting processes including (I) the replacement of water adsorbed on the carbon surface by gas and (II) further replacement of water in the pore by gas accompanied with the gas condensation in the pore and growth of gas hydrate crystals out of the pore were deduced. As a result, a great enhancement of the selectivity and regeneration for gas separation was achieved by controlling the gas hydrate formation behavior accurately.

SUBMITTER: Liu J

PROVIDER: S-EPMC6750046 | biostudies-literature | 2019

REPOSITORIES: biostudies-literature

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Understanding the Pathway of Gas Hydrate Formation with Porous Materials for Enhanced Gas Separation.

Liu Jia J Wei Yajuan Y Meng Wei W Li Pei-Zhou PZ Zhao Yanli Y Zou Ruqiang R

Research (Washington, D.C.) 20190528

The reason that the stoichiometry of gas to water in artificial gas hydrates formed on porous materials is much higher than that in nature is still ambiguous. Fortunately, based on our experimental thermodynamic and kinetic study on the gas hydrate formation behavior with classic ordered mesoporous carbon CMK-3 and irregular porous activated carbon combined with density functional theory calculations, we discover a microscopic pathway of the gas hydrate formation on porous materials. Two interes ...[more]

PMID: 31549056

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Project description:Assessing the efficacy of specific porous materials for use in various applications has been a central focus for many experimental studies over the years, with a view to altering the material properties according to the desired characteristics. The application potential for one such class of nanoporous materials-organic resorcinol-formaldehyde (RF) gels-is of particular interest, due to their attractive and adjustable properties. In this work, we simulate adsorption analysis using lattice-based mean field theory, both in individual pores and within three-dimensional porous materials generated from a kinetic Monte Carlo cluster aggregation model. We investigate the impacts of varying pore size and geometry on the adsorptive behavior, with results agreeing with those previously postulated in the literature. The adsorption analysis is carried out for porous materials simulated with varying catalyst concentrations and solids contents, allowing their structural properties to be assessed from resulting isotherms and the adsorption and desorption processes visualized using density color maps. Isotherm analysis indicated that both low catalyst concentrations and low solids contents resulted in structures with open transport pores that were larger in width, while high catalyst concentrations and solids contents resulted in structures with bottleneck pores that were narrower. We present results from both the simulated isotherms and pore size analysis distributions, in addition to results from RF gels synthesized in the lab and analyzed experimentally, with significant similarities observed between the two. Not only do the results of this comparison validate the kinetic Monte Carlo model's ability to successfully capture the formation of RF gels under varying synthesis parameters, but they also show significant promise for the tailoring of material properties in an efficient and computationally inexpensive manner-something which would be pivotal in realizing their full application potential, and could be applied to other porous materials whose formation mechanism operates under similar principles.

Dataset Information

Understanding the Pathway of Gas Hydrate Formation with Porous Materials for Enhanced Gas Separation.

Publications

Understanding the Pathway of Gas Hydrate Formation with Porous Materials for Enhanced Gas Separation.

Similar Datasets

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