Phase Behavior of the Patchy Colloids Confined in the Patchy Porous Media
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arXiv
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| Main Authors: | , , , |
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| Format: | Preprint |
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2023
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| _version_ | 1866910868462108672 |
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| author | Kalyuzhnyi, Yurij V. Patsahan, Taras Holovko, Myroslav Cummings, Peter T. |
| author_facet | Kalyuzhnyi, Yurij V. Patsahan, Taras Holovko, Myroslav Cummings, Peter T. |
| contents | A simple model for functionalized disordered porous media is proposed and the effects of confinement on self-association, percolation and phase behavior of a fluid of patchy particles are studied. The media is formed by a randomly distributed hard-sphere obstacles fixed in space and decorated by a certain number of off-center square-well sites. The properties of the fluid of patchy particles, represented by the fluid of hard spheres each bearing a set of the off-center square-well sites, are studied using an appropriate combination of the scaled particle theory for the porous media, Wertheim's thermodynamic perturbation theory, and the Flory-Stockmayer theory. To assess the accuracy of the theory a set of computer simulations have been performed. In general, predictions of the theory appear to be in a good agreement with computer simulation results. Confinement and competition between the formation of bonds connecting the fluid particles, and connecting fluid particles and obstacles of the matrix, give rise to a re-entrant phase behavior with three critical points and two separate regions of the liquid-gas phase coexistence. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2311_14866 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | Phase Behavior of the Patchy Colloids Confined in the Patchy Porous Media Kalyuzhnyi, Yurij V. Patsahan, Taras Holovko, Myroslav Cummings, Peter T. Soft Condensed Matter A simple model for functionalized disordered porous media is proposed and the effects of confinement on self-association, percolation and phase behavior of a fluid of patchy particles are studied. The media is formed by a randomly distributed hard-sphere obstacles fixed in space and decorated by a certain number of off-center square-well sites. The properties of the fluid of patchy particles, represented by the fluid of hard spheres each bearing a set of the off-center square-well sites, are studied using an appropriate combination of the scaled particle theory for the porous media, Wertheim's thermodynamic perturbation theory, and the Flory-Stockmayer theory. To assess the accuracy of the theory a set of computer simulations have been performed. In general, predictions of the theory appear to be in a good agreement with computer simulation results. Confinement and competition between the formation of bonds connecting the fluid particles, and connecting fluid particles and obstacles of the matrix, give rise to a re-entrant phase behavior with three critical points and two separate regions of the liquid-gas phase coexistence. |
| title | Phase Behavior of the Patchy Colloids Confined in the Patchy Porous Media |
| topic | Soft Condensed Matter |
| url | https://arxiv.org/abs/2311.14866 |