Liquid–Liquid Phase Transitions in Tetrahedrally Coordinated Fluids via Wertheim Theory
| Autor: | Frank Smallenburg, Laura Filion, Francesco Sciortino |
|---|---|
| Rok vydání: | 2014 |
| Předmět: |
Phase transition
Range (particle radiation) Component (thermodynamics) Chemistry Thermodynamics Model parameters Physical and Theoretical Chemistry Materials Chemistry metals and alloys surfaces coatings and films 02 engineering and technology 021001 nanoscience & nanotechnology 01 natural sciences Surfaces Coatings and Films Physics::Fluid Dynamics Condensed Matter::Soft Condensed Matter Computational chemistry Phase (matter) 0103 physical sciences Liquid liquid 010306 general physics 0210 nano-technology |
| Zdroj: | The Journal of Physical Chemistry B. 119:9076-9083 |
| ISSN: | 1520-5207 1520-6106 |
| DOI: | 10.1021/jp508788m |
| Popis: | Network interpenetration has been proposed as a mechanism for generating liquid-liquid phase transitions in one component systems. We introduce a model of four coordinated particles, which explicitly treats the system as a mixture of two interacting interpenetrating networks that can freely exchange particles. This model can be solved within Wertheim's theory for associating fluids and shows liquid-liquid phase separations (in addition to the gas-liquid) for a wide range of model parameters. We find that originating a liquid-liquid transition requires a small degree of interpenetrability and a preference for intranetwork bonding. Physically, these requirements can be seen as controlling the softness of the particle-particle interaction and the bond flexibility, in full agreement with recent findings [Smallenburg, F.; Filion, L.; Sciortino, F. Nat. Phys. 2014, 10, 653]. |
| Databáze: | OpenAIRE |
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