Ordering and association of patchy particles in quasi-one-dimensional channels
We show that the formalism of Wertheim's first-order thermodynamic perturbation theory can be generalized for the fluid of rotating sticky particles with anisotropic hard core confined to a quasi-one-dimensional channel. Using the transfer-matrix method, we prove that the theory is exact if the...
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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
American Physical Society
2025-07-01
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| Series: | Physical Review Research |
| Online Access: | http://doi.org/10.1103/1xp1-mnqx |
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| Summary: | We show that the formalism of Wertheim's first-order thermodynamic perturbation theory can be generalized for the fluid of rotating sticky particles with anisotropic hard core confined to a quasi-one-dimensional channel. Using the transfer-matrix method, we prove that the theory is exact if the hard-body interaction is additive, only the first neighbors interact, and the particles can stick together only along the channel. We show that the most convenient treatment of association in narrow channels is to work in the NPT ensemble, where all structural and thermodynamic quantities can be expressed as a function of pressure and fraction of sites unbonded. |
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| ISSN: | 2643-1564 |