Inaccurate predictions of the vapour-liquid equilibria of polar gas hydrate formers and organic inhibitors can lead to erroneous hydrate phase equilibrium predictions for these associating components. In this work, parameters of the cubic plus association equation of state (CPA-EoS) were optimized for associating components by simultaneous minimization of absolute errors of saturated liquid densities and vapour pressures compared to experimental data. Model prediction accuracies were compared with experimental data after optimizing binary interaction parameters. The proposed association equation of state (based on CPA-EoS) was employed to predict vapour-liquid equilibria of water/N₂/H₂+non-associating hydrate formers. Water was modelled using a 4C association scheme, i.e., comprising two proton donor and acceptor sites on each water molecule, which has been used previously (Chapman, 1989; Hammerschmidt, 1934; Kontogeorgis, 2006a; Tsivintzelis, 2010; Tsivintzelis et al., 2014; Wichterle and Kobayashi, 1972; Williams and Katz, 1954). For model development and validation, phase envelopes were predicted and validated with experimental solubility data for several systems. Furthermore, the CPA-EoS was also coupled with the Colorado School of Mines Gibbs Energy Minimization (CSMGem) algorithm for hydrate phase equilibria predictions. The predictions were in close agreement with experimental hydrate phase equilibria measurements.

对极性气体水合物形成物和有机抑制剂的气液平衡的不准确预测会导致对这些相关组分的水合物相平衡预测错误。在这项工作中，与实验数据相比，通过同时最小化饱和液体密度和蒸汽压的绝对误差，优化了三次加关联状态方程(CPA-EoS) 的参数以用于关联组件。优化二元相互作用参数后，将模型预测精度与实验数据进行比较。提出的状态关联方程（基于CPA-EoS）用于预测水/N ₂ /H _{2 的}汽液平衡+非缔合水合物形成剂。使用4C关联方案对水进行建模，即每个水分子上包含两个质子供体和受体位点，这在之前已经使用过（Chapman，1989；Hammerschmidt，1934；Kontogeorgis，2006a；Tsivintzelis，2010；Tsivintzelis 等人， 2014；Wichterle 和 Kobayashi，1972；Williams 和 Katz，1954）。对于模型开发和验证，使用几个系统的实验溶解度数据预测和验证了相包络。此外，CPA-EoS还与科罗拉多矿业学院吉布斯能量最小化 ( CSMGem ) 算法相结合，用于水合物相平衡预测。这些预测与实验水合物相平衡测量结果非常一致。