N-methyl-2-pyrrolidone (NMP) due to its special characteristics is an efficient solvent that has numerous industrial and practical applications. Moreover, its mixtures with organic solvents and water have scientifically and practically great of interest. In this theoretical study, the cubic plus association equation of state was utilized to model vapor-liquid equilibrium of water-NMP, 2-propanol-NMP, and 2-butanol-NMP mixtures over a temperature range of 343.15 K- 380.15 K, 353.15 K–373.15 K, and 373.15 K, respectively. Four and two association sites were considered for water and studied alcohols, respectively, while NMP was treated as both an “inert” compound and a “cross-associating” compound. NMP as an inert compound resulted in poor correlation results, whereas a high level of accuracy was achieved when considered as a cross-associating compound. Accordingly, hydrogen bonds between NMP carbonyl group and water (or alcohol) hydrogen were taken into consideration. Satisfactory model-correlated results were obtained by both temperature-dependent and temperature-independent binary adjustable parameters (BAPs) for all studied mixtures. In the following, the density of water-NMP, 2-propanol-NMP, and 2-butanol-NMP liquid mixtures was predicted using temperature-independent BAPs over a temperature range of 293.15 K–343.15 K, 298.15 K–303.15 K, and 288.15 K–323.15 K with absolute average relative deviation (AARD) of 6.20%, 7.53%, and 6.16%, respectively. Furthermore, the dynamic viscosity of water-NMP, 2-propanol-NMP, and 2-butanol-NMP liquid mixtures was satisfactorily calculated by CPA EoS and free volume theory (CPA-FV) using a simple quadratic mixing rule. The applied approach calculating the dynamic viscosity was efficient enough to represent minimum and maximum values available in experimental data properly.

ñ-甲基-2-吡咯烷酮（NMP）由于其特殊的特性是一种有效的溶剂，在许多工业和实际应用中均得到应用。而且，其与有机溶剂和水的混合物在科学和实践上具有极大的意义。在这项理论研究中，利用状态的立方加缔合方程对水-NMP，2-丙醇-NMP和2-丁醇-NMP混合物在343.15 K- 380.15 K，353.15温度范围内的气液平衡进行建模。 K–373.15 K和373.15K。水和研究的醇分别考虑了四个和两个缔合位点，而NMP被视为“惰性”化合物和“交叉缔合”化合物。NMP作为惰性化合物导致相关结果差，而当作为交叉缔合化合物使用时，可以达到很高的准确性。因此，考虑了NMP羰基和水（或醇）氢之间的氢键。对于所有研究的混合物，通过温度相关和温度独立的二进制可调参数（BAP）均获得了令人满意的模型相关结果。在下文中，使用温度无关的BAP在293.15 K–343.15 K，298.15 K–303.15 K和288.15 K–323.15 K，绝对平均相对偏差（AARD）分别为6.20％，7.53％和6.16％。此外，水-NMP，2-丙醇-NMP，使用简单的二次混合法，通过CPA EoS和自由体积理论（CPA-FV）令人满意地计算了2-丁醇-NMP液体混合物。应用的动态粘度计算方法足够有效地代表实验数据中可用的最小值和最大值。