Thermodynamic predictions of physical properties - Prediction of solid solutions in molecular solutes exhibiting polymorphism
Thermodynamic predictions of physical properties - Prediction of solid solutions in molecular solutes exhibiting polymorphism
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DOI：
10.1002/ceat.200500377
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发表时间：
2006-02-01
影响因子：
2.1
通讯作者：
Coquerel, G
中科院分区：
文献类型：
--
作者：
Coquerel, G
多晶型现象是分子组分中普遍存在的现象，不同种类的分子的晶格能通常相当接近。结果表明，固溶体，通过插入（例如，由于溶剂）或通过取代（例如，由于组分的衍生物），可以实质上改变多晶型物之间的能量分布。在转变温度的波动导致的预测存在的固溶体。
Polymorphism is a widespread phenomenon among molecular components, and usually the lattice energies of the different varieties are rather close. It is shown that solid solutions, by means of insertion (e.g., due to solvent) or by means of substitution (e.g., due to derivatives of the components), can substantially modify the energy landscape between polymorphs. Fluctuations in the transition temperatures lead to the prediction of the existence of solid solutions.