The previously developed dispersion activity coefficient model (ACM) is extended from a molecular to a group contribution (GC) model providing results of equal accuracy as the molecular model. Contrary to other GC-ACMs the presented GC-ACM preserves the topology information of each molecule in the mixture. Therefore, in contrast to DISQUAC, UNIFAC or COSMOSAC, where the topology is eliminated by the assignment of groups or the construction of sigma-profiles, this new methodology makes it possible to quantify differences in phase behavior between isomers in a multicomponent mixture.

中文翻译：

---

分散活度系数模型。第 3 部分：拓扑保留组贡献模型

先前开发的色散活性系数模型 (ACM) 从分子扩展到组贡献 (GC) 模型，提供与分子模型相同精度的结果。与其他 GC-ACM 不同，所提出的 GC-ACM 保留了混合物中每个分子的拓扑信息。因此，与 DISQUAC、UNIFAC 或 COSMOSAC 相比，通过分配组或构建 sigma 剖面来消除拓扑结构，这种新方法可以量化多组分混合物中异构体之间的相行为差异。