The properties of binary liquid mixtures formed by lactams (2-pyrrolidone or N-methyl-2-pyrrolidone) with 1,2-alkanediols were studied as a function of mixtures composition using a combined experimental and theoretical approach. The experimental properties were analysed in terms of excess and mixing properties, thus inferring deviations from ideality and their relationships with types and extension of hydrogen bonding. The theoretical study using both quantum chemistry and classical molecular dynamics simulations provided a nanoscopic characterization of the mixed fluids and for the intermolecular forces in terms of homo and heteroassociations. The reported results allowed to characterize lactam–containing liquid mixtures in multiscale approach, thus inferring the properties of these systems and their relationships with their solvency capacity.

内酰胺（2-吡咯烷酮或N）形成的二元液体混合物的性质使用组合的实验和理论方法研究了具有1,2-链烷二醇的（-甲基-2-吡咯烷酮）-（甲基）-吡咯烷酮）。根据过剩和混合性质对实验性质进行了分析，从而推断出偏离理想化及其与氢键的类型和延伸的关系。使用量子化学和经典分子动力学模拟进行的理论研究提供了混合流体的纳米表征，并且以均相和杂缔合形式提供了分子间力。报告的结果允许以多尺度方法表征含内酰胺的液体混合物，从而推断这些系统的性质及其与溶剂能力的关系。