化工进展 ›› 2023, Vol. 42 ›› Issue (11): 5689-5699.DOI: 10.16085/j.issn.1000-6613.2023-0033

• 能源加工与技术 • 上一篇    下一篇

湿材料固定床中甲烷水合物微观形成过程模拟

李智1(), 裴家玲1, 李楠1, 阚京玉1(), 郭绪强1, 刘蓓2, 陈光进2   

  1. 1.中国石油大学(北京)克拉玛依校区工学院,新疆 克拉玛依 834000
    2.中国石油 大学(北京),重质油全国重点实验室,北京 102249
  • 收稿日期:2023-01-08 修回日期:2023-04-24 出版日期:2023-11-20 发布日期:2023-12-15
  • 通讯作者: 阚京玉
  • 作者简介:李智(1989—),女,博士,研究方向为气体水合物。E-mail:liz@cupk.edu.cn
  • 基金资助:
    中国石油大学(北京)克拉玛依校区科研启动基金(XQZX20230017);新疆维吾尔自治区“天池英才”引进计划;国家自然科学基金(52204061)

Simulation on the micro formation process of methane hydrate in the fixed bed filled with wet materials

LI Zhi1(), PEI Jialing1, LI Nan1, KAN Jingyu1(), GUO Xuqiang1, LIU Bei2, CHEN Guangjin2   

  1. 1.Engineering College, China University of Petroleum (Beijing) at Karamay, Karamay 834000, Xinjiang, China
    2.State Key Laboratory of Heavy Oil Processing, China University of Petroleum, Beijing 102249, China
  • Received:2023-01-08 Revised:2023-04-24 Online:2023-11-20 Published:2023-12-15
  • Contact: KAN Jingyu

摘要:

采用分子动力学模拟方法研究了两种代表性金属-有机骨架材料(MOF材料)ZIF-8和ZIF-67在湿材料固定床体系中的甲烷水合物微观动力学形成过程。结果表明:与ZIF-67相比,ZIF-8材料对甲烷分子的吸附能力更强,最终会诱导更多的甲烷和水分子转化为水合物,有助于吸附-水合耦合储存天然气。但是与此同时,在水合物的形成过程中,ZIF-8对甲烷的吸附作用亦会通过促进溶液中的甲烷分子向ZIF-8固体表面运移并聚集成纳米气泡,从而降低溶液中甲烷浓度、削弱水合物形成驱动力、显著延长水合物的生长时间。因此,在选择适用于吸附-水合耦合天然气存储技术的多孔材料时,需从干材料自身的天然气吸附特性及固定床整体的水合物生成动力学两方面进行综合考虑。

关键词: 分子模拟, 水合物, 吸附, 天然气, 动力学

Abstract:

Molecular dynamics simulation was used to study the formation process of methane hydrate in the wet fixed bed filled with two representative metal-organic framework materials (MOF materials) ZIF-8 and ZIF-67. The results showed that compared with ZIF-67, ZIF-8 material with the stronger adsorption capacity of methane gas can eventually induce more methane and water molecules to convert into hydrates, which was conducive to the natural gas storage by using hybrid adsorption-hydration technique. However, the excellent adsorption property of ZIF-8 on methane will also reduced the concentration of methane in solution, weakened the driving force of hydrate formation, and significantly prolonged the growth time of hydrate by promoting the migration of methane molecules in the solution to the surface of ZIF-8 material and aggregating into nano-bubbles. Therefore, when selecting porous materials suitable for the hybrid adsorption-hydration natural gas storage technology, it was necessary to comprehensively consider the natural gas adsorption characteristics of the dry materials themselves and the hydrate formation kinetics of the fixed bed as a whole.

Key words: molecular simulation, hydrate, adsorption, natural gas, kinetics

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