化工进展 ›› 2025, Vol. 44 ›› Issue (8): 4871-4878.DOI: 10.16085/j.issn.1000-6613.2024-1714

• 过程模拟与仿真前沿与趋势 • 上一篇    

典型水合物相图的数值计算方法

龙回龙1(), 唐浩然1, 马源1, 秦云锋1, 包祎辉2, 张增富1()   

  1. 1.圣泰(北京)软件科技有限公司上海分公司,上海 201203
    2.华东理工大学化工学院,上海 200237
  • 收稿日期:2024-10-25 修回日期:2025-02-27 出版日期:2025-08-25 发布日期:2025-09-08
  • 通讯作者: 张增富
  • 作者简介:龙回龙(1988—),男,硕士,工程师,研究方向为流程模拟软件的开发。E-mail:619224754@qq.com

Numerical calculation method of typical hydrate phase diagram

LONG Huilong1(), TANG Haoran1, MA Yuan1, QIN Yunfeng1, BAO Yihui2, ZHANG Zengfu1()   

  1. 1.Shanghai Branch, Simtech (Beijing) Software Technology Co. , Ltd. , Shanghai 201203, China
    2.School of Chemical Engineering, East China University of Science and Technology, Shanghai 200237, China
  • Received:2024-10-25 Revised:2025-02-27 Online:2025-08-25 Published:2025-09-08
  • Contact: ZHANG Zengfu

摘要:

随着气体水合物在碳捕集与在油气运输中的相关研究不断深入,研究其相平衡具有重要意义。形成水合物的气体可以是纯组分,也可以是混合物。水合物的形成伴随着三相或者四相平衡,包括I-H-V(冰-水合物-气相)、Lw-H-V(液态水-水合物-气相)、Lw-H-LHC(水-水合物-液态烃)以及Lw-H-V-LHC(液态水-水合物-气相-液态烃)的相平衡。不同气体组分形成的水合物相图有很大的差别,主要体现在四相点的个数。本文以甲烷、氮气、二氧化碳、丙烷等和天然气混合物体系为例,分别讨论了含一个、两个四相点及四相线的水合物相图的数值计算方法。利用自主研发的SimTech Simulator进行了数值模拟,并与商业软件Pro/Ⅱ的计算结果进行了对比,验证了其可靠性。

关键词: 气体水合物, 相图, 四相点, 数值模拟, 相平衡

Abstract:

With the deepening research on gas hydrates in carbon capture and oil-gas transportation, the study to their phase equilibrium is significantly important. The gas forming hydrates can be either pure components or mixtures. Hydrate formation involves three- or four-phase equilibria, including I-H-V (ice-hydrate-vapor), Lw-H-V (liquid water-hydrate-vapor), Lw-H-LHC (liquid water-hydrate-liquid hydrocarbon), and Lw-H-V-LHC (liquid water-hydrate-vapor-liquid hydrocarbon). The phase diagrams of hydrates formed by different gas compositions exhibit notable differences, particularly in the number of four-phase points. This paper focuses on methane, nitrogen, carbon dioxide, propane and natural gas mixture systems, discussing numerical calculation methods for hydrate phase diagrams containing one or two four-phase points and four-phase lines. Numerical simulations are conducted using the independently developed SimTech Simulator, and the results are compared with those from the commercial software Pro/Ⅱ, validating the reliability of the Simulator.

Key words: gas hydrate, phase diagram, four-phase point, numerical simulation, phase equilibrium

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