4.5 Article

Role of the Range in the Fluid-Crystal Coexistence for a Patchy Particle Model

期刊

JOURNAL OF PHYSICAL CHEMISTRY B
卷 113, 期 46, 页码 15133-15136

出版社

AMER CHEMICAL SOC
DOI: 10.1021/jp9081905

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资金

  1. NoE SoftComp [NMP3-CT-2004-502235, ERC-226207-PATCHYCOLLOIDS]
  2. U.K. EPSRC [EP/E030173/1]
  3. Engineering and Physical Sciences Research Council [EP/E030173/1] Funding Source: researchfish
  4. EPSRC [EP/E030173/1] Funding Source: UKRI

向作者/读者索取更多资源

We evaluate the phase diagram of the four-site Kern-Frenkel patchy particle model [Kern, N.; Frenkel, D. J. Chem. Phys. 2003, 118, 9882.], a model representative of particles interacting via short-range orientational interactions, for several values of the interaction range. Similar to what has been found for isotropic potentials, the liquid phase disappears as an equilibrium phase for values of the range on the order of 15% of the particle diameter. For smaller ranges, the gas-liquid phase separation becomes metastable with respect to crystallization into a diamond-like structure. Interestingly, and differently from the isotropic case, the supersaturation of the fluid at the critical point does not significantly increase upon going toward the adhesive (vanishing interaction range) limit.

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