摘要
石油在开采过程中会出现部分原油难以被提取的问题,造成采收率降低和资源浪费。使用超临界CO_(2)这一绿色溶剂驱动石油流动可以强化石油开采,提高油田采收率。使用分子动力学模拟研究了超临界CO_(2)与石油各个组分之间的相容性,并对溶解过程进行了详细分析,同时研究了助溶剂对溶解过程的强化作用。结果表明,超临界CO_(2)的溶解度参数值在低温条件下对压力变化的敏感性低于在高温条件下对压力变化的敏感性。随着碳数的增加,烷烃和芳香烃的溶解度参数逐渐升高,而环烷烃的溶解度参数并不随碳数的增加发生明显变化。此外,添加助溶剂可有效提升超临界CO_(2)对石油烃的溶解能力,其中甲醇的助溶效果最好,加入10%的甲醇可使超临界CO_(2)与苯并芘的溶解度参数差值降低25.49%。
In the process of oil exploitation,some crude oil will be difficult to extract clearly,resulting in a reduced recovery rate and waste of resources.Supercritical CO_(2)is a green solvent with excellent properties.The use of supercritical CO_(2)to drive oil flow can enhance oil extraction and improve oil recovery.It is important to investigate the microscopic mechanism of petroleum hydrocarbon extraction by supercritical CO_(2)at the molecular level.The compatibility between supercritical CO_(2)and various petroleum components was studied using molecular dynamics simulations.The dissolution process of petroleum molecules in supercritical CO_(2)was analyzed,and the strengthening effect of cosolvents on the dissolution process was discussed.The results show that the solubility parameter value of supercritical CO_(2)is less sensitive to pressure changes under low temperature conditions than to pressure changes under high temperature conditions.For different kinds of petroleum hydrocarbons,the solubility parameters of alkane and aromatic hydrocarbons gradually increased with the increase in carbon number.The solubility parameters of naphthene didn’t change significantly with the increase in carbon number.Furthermore,the addition of cosolvent in supercritical CO_(2)could effectively improve the solubility of petroleum hydrocarbon molecules,among which methanol has the best solubilization effect.Adding 10%methanol can reduce the solubility parameter difference between supercritical CO_(2)and benzopyrene by 25.49%.
作者
王俊英
金辉
WANG Junying;JIN Hui(State Key Laboratory of Multiphase Flow in Power Engineering,Xi’an Jiaotong University,Xi’an 710049,Shaanxi,China)
出处
《化工学报》
北大核心
2025年第11期5788-5798,共11页
CIESC Journal
基金
科技部变革性技术重点研发计划项目(2020YFA0714401)
陕西省科技厅重点研发计划项目(2024GX-YBXM-518)。
关键词
石油
超临界二氧化碳
溶解
溶解度参数
分子模拟
助溶剂
petroleum
supercritical CO_(2)
dissolution
solubility parameter
molecular simulation
cosolvent
