摘要：准确预测不同复杂体系下水合物的相平衡条件，是促进水合物应用技术发展和落地的基础和关键。以Chen-Guo水合物模型为基础结合改进的状态方程和活度系数模型建立了多元-多相复杂体系下的水合物相平衡预测模型；结合开发的热力学模型设计并实现了气体水合物相平衡条件计算工具软件包CUPB_HYDPack。软件包括水合物相平衡条件单点计算、相平衡曲线计算、气体溶解度计算以及画图子模块，其中水合物相平衡模块包含纯水、盐水（包括季铵盐）、醇溶液、醇+盐混合抑制剂、四氢呋喃（THF）以及多孔介质体系下水合物生成条件的计算。描述了该软件的图形界面和不同功能，以及实现的理论基础，并提供了示例计算。将CUPB_HYDPack软件应用于单组分以及多元混合气体系下水合物相平衡条件的计算，其界面友好、适用体系较广，与文献报道的实验数据进行了比较和验证，预测精度基本能够满足工程应用的需求。

 

Abstract: The accurate prediction of hydrate phase equilibria in a variety of complex systems is fundamental and of great importance in facilitating the applications of hydrate-based technologies. In this work, the modified equation of state and activity coefficient model were used to correlate the activity of water in multicomponent-multiple phase aqueous systems. The calculations for liquid phase were then coupled with the Chen-Guo model to predict hydrate phase equilibria, which was further integrated for developing a calculation software package, CUPB_HYDPack. Submodules of single point calculation of hydrate formation conditions, hydrate stability boundary calculation, gas solubility predictions, and plotting were already included. Within the framework of hydrate phase equilibria prediction, the developed software provides overall satisfactory results for systems of pure water, saline solutions (including quaternary ammonium salt), organic inhibitors, mixed inhibitor of organics and salts, tetrahydrofuran (THF), and porous media as well. Further, the graphical interface and features of CUPB_HYDPack are described, as well as the theoretical basis for implementation, and typical examples are provided. Preliminary results have showed that in cases of simple gas hydrate and hydrate of gas mixtures, a user-friendly graphical interface, wide coverage of systems, and acceptable precision within engineering applications can be achieved.