摘要
针对煤炭开采深度增加,瓦斯开采难度大的问题,应用模拟软件Materials Studio,微观模拟了不同温度和压力下CO_(2)分子的吸附、扩散规律;基于分子动力学的方法模拟得到了CO_(2)均方位移与时间的关系。结果表明:在15、25、30、35℃的等温吸附曲线中,CO_(2)吸附量随温度的升高而逐渐降低,说明在低温状态下有利于CO_(2)地质封存;CO_(2)在煤中的自扩散系数、校正扩散系数和传递扩散系数的值均随着温度、压力的升高而增大,且在35℃,3.5 MPa时达到最大值。
In order to overcome the difficulty of gas mining when coal mining depth increased,the adsorption and diffusion laws of CO_(2) molecules at different temperatures and pressures were simulated by using the simulation software Materials Studio;the relationship between CO_(2) mean square displacement and time was simulated based on molecular dynamics.The results showed that in the isothermal adsorption curves of 15℃,25℃,30℃and 35℃,the adsorption capacity of CO_(2) decreased gradually when temperature increased.It showed that CO_(2) was conducive to geological storage at low temperatures;the values of self-diffusion coefficient,corrected diffusion coefficient and transfer diffusion coefficient of CO_(2) in coal increased when temperature and pressure increased.The maximum value was reached at 35℃and 3.5 MPa.
作者
郑学召
吴朔
文虎
张铎
王宝元
闫兴
ZHENG Xuezhao;WU Shuo;WEN Hu;ZHANG Duo;WANG Baoyuan;YAN Xing(College of Safety Science and Engineering,Xi’an University of Science and Technology,Xi’an 710054,China;Xi’an Research Center of National Mine Rescue,Xi’an 710054,China;Key Laboratory of Western Exploitation and Hazard Prevention,Ministry of Education,Xi’an 710054,China)
出处
《煤矿安全》
CAS
北大核心
2023年第9期60-65,共6页
Safety in Coal Mines
基金
国家自然科学基金面上资助项目(51974240)。
