J Phys Chem B. 2009 Nov 19;113(46):15133-6. doi: 10.1021/jp9081905.
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.
我们评估了四站点 Kern-Frenkel 嵌段粒子模型（Kern，N.；Frenkel，D. J. Chem. Phys. 2003, 118, 9882.）的相图，这是一种代表通过短程取向相互作用相互作用的粒子的模型，对于几个相互作用范围的值。与各向同性势能的情况类似，当相互作用范围的值约为粒子直径的 15%时，液体相作为平衡相消失。对于较小的范围，气体-液体分相对于结晶成类金刚石结构变得亚稳。有趣的是，与各向同性情况不同，在趋于粘着（相互作用范围消失）极限时，临界点处流体的过饱和度不会显著增加。
