EQUATION OF STATE FOR ATHERMAL LATTICE CHAINS IN A 3D FLUCTUATING BOND MODEL
EQUATION OF STATE FOR ATHERMAL LATTICE CHAINS IN A 3D FLUCTUATING BOND MODEL
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DOI：
10.1063/1.459238
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发表时间：
1990-12-15
影响因子：
4.4
通讯作者：
DICKMAN, R
中科院分区：
文献类型：
--
作者：
DEUTSCH, HP;DICKMAN, R
众所周知的弗洛里和弗洛里-哈金斯平均场近似对状态方程的推广是针对三维晶格模型得出的，其中单体占据整个晶胞，并且许多键长和键角都是可能的。 通过测量颗粒与系统壁接触的概率，通过计算机模拟在从稀溶液到致密熔体的整个密度范围内确定压力。 结果用于测试平均场预测。 将本模型的状态方程与传统晶格模型和连续空间中的硬球链的状态方程进行比较，可以看出我们的方法比单点晶格模型更好地逼近连续体极限。 此外，更快速地接近大 n des Cloizeaux 缩放行为。
A generalization of the well-known Flory and Flory-Huggins mean-field approximations to the equation of state is derived for a three-dimensional lattice model in which a monomer occupies an entire unit cell, and many bond lengths and bond angles are possible. By measuring the probability for particles to be in contact with the walls of the system, the pressure is determined via computer simulation over the full density range from dilute solution to dense melt. The results are used to test the mean-field predictions. Comparing the equation of state of the present model to those of conventional lattice models and of hard-sphere chains in continuous space, it is seen that our method approximates the continuum limit far better than single site lattice models. Also the large n des Cloizeaux scaling behavior is approached more rapidly.