基于反应分子动力学的超临界多元热流体发生规律及物性变化特征  

Generation and variation characteristics of supercritical multicomponent thermal fluids based on reaction molecular dynamics simulation

作　　者：杨棽垚 杨二龙[1] 戚志林 严文德 徐放 YANG Shenyao;YANG Erlong;QI Zhilin;YAN Wende;XU Fang(The Key Laboratory of Enhanced Oil and Gas Recovery of Education Ministry,Northeast Petroleum University,Daqing,Heilongjiang 163318,China;The Key Laboratory of Unconventional Oil and Gas Green and Efficient Development of Chongqing Municipality,Chongqing University of Science and Technology,Chongqing 401331,China;CNPC GreatWall Drilling Company,Beijing 100101,China)

机构地区：[1]东北石油大学提高油气采收率教育部重点实验室,黑龙江大庆163318 [2]重庆科技大学非常规油气绿色高效开发重庆市重点实验室,重庆401331 [3]中国石油长城钻探工程有限公司,北京100101

出　　处：《东北石油大学学报》2024年第6期98-108,I0007,I0008,共13页Journal of Northeast Petroleum University

基　　金：国家自然科学基金重点支持项目(U22B2074);中海石油(中国)有限公司北京研究中心重点技术攻关项目(CCL2023RCPS0077RSN);中央支持地方高校改革发展资金人才培养项目(黑财教〔2021〕137号)。

摘　　要：超临界多元热流体发生过程中各组分质量分数变化规律认识不清。基于反应分子动力学方法,进行不同条件下的超临界多元热流体发生规律模拟,结合实验和模型计算结果,研究热流体各组分质量分数随反应温度、反应压力、时间和原料比例的变化规律,分析热流体各组分质量分数变化对流体物性的影响。结果表明:模拟结果与相近条件的实验和理论计算结果吻合度较高,采用反应分子动力学模拟研究超临界多元热流体发生规律具有较高准确性;反应温度、反应压力越高,原料完全反应时间越短;柴油质量分数越高,原料完全反应时间越长;反应温度、压力对完全反应后超临界多元热流体各组分质量分数无显著影响,柴油质量分数影响较大,柴油质量分数越高,热流体中二氧化碳和氮气质量分数越高,水质量分数越低;在反应未完全时,反应时间对热流体物性的影响较显著,反应初始至结束的流体密度降幅为8.19%,流体比焓降幅为49.85%,在反应完全后,反应原料比例对热流体物性影响较大,原料柴油质量分数由8.39%上升至25.14%,流体密度增幅为7.82%,流体比焓降幅为10.58%。该结果为开展超临界多元热流体发生规律研究及热流体发生环境优化提供参考。The changing rule of the supercritical multicomponent thermal fluid components’content during its generation process need to be further studied,and there are some shortcomings and difficulties to explore this project through the experimental and theoretical methods.Therefore,reaction molecular dynamics simulation is used to study the supercritical multicomponent thermal fluid generation process under different reaction conditions.And the simulation results are compared with physical experiment results and theoretical calculation results to demonstrate the feasibility of using reaction molecular dynamics theory to study the generation characteristics of supercritical multicomponent thermal fluids.Meanwhile,the variation law of each component content of thermal fluid with reaction temperature,reaction pressure,reaction time and reaction raw material ratio is preliminarily studied.Based on the simulation results,the influence of the change of thermal fluids component content on the physical properties is analyzed.Results show that the simulation results of reaction molecular dynamics are in good agreement with laboratory experiments and theoretical calculation results under similar conditions.The method of reaction molecular dynamics simulation is accurate and representative in studying the generation characteristics of supercritical multicomponent thermal fluids.Higher temperature and pressure will bring a faster full reaction state,and higher diesel mass concentration will bring a slower result.Reaction temperature and pressure have no significant influence on the mass concentration of each component of supercritical multicomponent thermal fluids after complete reaction.However,the diesel mass concentration has a greater impact on it,higher diesel concentration can lead to the increase content of carbon dioxide and nitrogen,and the decrease content of water.When the reaction time in the reaction is not complete,there is a significant effect on the physical properties of thermal fluid,the initial reaction to the

关 键 词：超临界多元热流体 发生规律 热流体物性 ReaxFF反应力场 分子动力学模拟 稠油热采 

分 类 号：TE345[石油与天然气工程—油气田开发工程]