气体水合物形成条件的第一性原理热力学研究  

First Principles Thermodynamic Study on Formation Conditions of Gas Hydrates

作　　者：戚佳 曹潇潇 葛雪 艾小倩 李婷 贾鑫瑶 QI Jia;CAO Xiao-xiao;GE Xue;AI Xiao-qian;LI Ting;JIA Xin-yao(School of Physics and Electronic Information,Jiangsu Second Normal University,Jiangsu Nanjing 210013,China)

机构地区：[1]江苏第二师范学院物理与电子信息学院,江苏南京210013

出　　处：《广州化工》2023年第22期16-19,共4页GuangZhou Chemical Industry

基　　金：2023年江苏省大学生创新创业训练计划立项项目:水合物形成条件的第一性原理热力学研究(No:202314436021Z)。

摘　　要：天然气水合物在我国未来的能源战略中将占有重要地位,相关的基础研究具有重要性和紧迫性。水合物的研究涉及石油化工、材料科学、能源科学、凝聚态物理、物理化学等多个学科,是一个典型的交叉学科研究领域。在当前的气体水合物研究中,固相水合物的相稳定性是共通的关键科学问题。拟在第一性原理水平上,通过对分子间相互作用的精确描述,对典型的甲烷水合物建立化学势相图,进而获得水合物稳定存在的温度、压强热力学条件,建立天然气水合物成藏的微观物理图像。Natural gas hydrates will play an important role in China s future energy strategy,and related basic research is of great importance and urgency.The study of hydrates involves multiple disciplines such as petrochemicals,materials science,energy science,condensed matter physics,physical chemistry,and is a typical interdisciplinary research field.In the current research on gas hydrates,the phase stability of solid-phase hydrates is a key scientific issue in common.A chemical potential phase diagram for typical methane hydrates at the first principle level through the accurate description of intermolecular interactions was intended to establish,and then the temperature and pressure thermodynamic conditions for the stable existence of hydrates were obtained,and the microscopic physical map of gas hydrate reservoir formation was established.

关 键 词：天然气水合物 第一性原理热力学 温压条件 

分 类 号：P744[天文地球—海洋科学]