Department of Chemical Engineering and Chemical Technology, Imperial College, University of London, , London SW7 2BY, UK.
Philos Trans A Math Phys Eng Sci. 2010 Mar 13;368(1914):1009-25. doi: 10.1098/rsta.2009.0215.
Polymeric mixtures are important materials, but the control and understanding of mixing behaviour poses problems. The original Flory-Huggins theoretical approach, using a lattice model to compute the statistical thermodynamics, provides the basic understanding of the thermodynamic processes involved but is deficient in describing most real systems, and has little or no predictive capability. We have developed an approach using a lattice integral equation theory, and in this paper we demonstrate that this not only describes well the literature data on polymer mixtures but allows new insights into the behaviour of polymers and their mixtures. The characteristic parameters obtained by fitting the data have been successfully shown to be transferable from one dataset to another, to be able to correctly predict behaviour outside the experimental range of the original data and to allow meaningful comparisons to be made between different polymer mixtures.
高分子混合物是一种重要的材料，但混合行为的控制和理解仍存在问题。最初的弗洛里-哈金斯理论方法，使用晶格模型来计算统计热力学，为涉及的热力学过程提供了基本的理解，但在描述大多数实际系统方面存在不足，几乎没有或完全没有预测能力。我们已经开发了一种使用格子积分方程理论的方法，在本文中，我们证明了这种方法不仅可以很好地描述聚合物混合物的文献数据，还可以深入了解聚合物及其混合物的行为。通过拟合数据得到的特征参数已成功证明可以从一个数据集转移到另一个数据集，能够正确预测原始数据实验范围之外的行为，并允许在不同的聚合物混合物之间进行有意义的比较。
