摘要
采用固体吸附材料实现二氧化碳的物理吸附过程,对于二氧化碳捕集与降低能耗–有着十分积极的作用。ZIF-8(Zn)作为一种稳定性强、孔隙率大的金属有机框架材料,有着较好的利用前景。本文基于巨正则蒙特卡洛(GCMC)对ZIF-8(Zn)吸附CO_(2)的过程进行模拟,同时通过体积法测得ZIF-8(Zn)的CO_(2)吸附等温线,证明仿真结果相对可靠。在此基础上,计算得到不同温度压力下的吸附量与吸附热,发现温度的增加使得吸附量呈现下降的趋势;同时,吸附量随着压力的增加而增长,增长趋势呈现先快速上升后趋于平缓的趋势。ZIF-8(Zn)与CO_(2)的吸附热相较于CO_(2)之间的吸附热而言较大,CO_(2)分子间吸附热随压力增加或温度的降低而增加。本文为ZIF-8(Zn)吸附二氧化碳过程提供了理论支撑。
Utilizing solid adsorbent materials for the physical adsorption process of carbon dioxide holds great promise in carbon capture and energy consumption reduction.ZIF-8(Zn),characterized by robust stability and substantial porosity as a metal-organic framework material,presents favorable prospects for practical applications.Leveraging grand canonical Monte Carlo(GCMC),this study simulates the process of CO_(2)adsorption on ZIF-8(Zn).Concurrently,the CO_(2)adsorption isotherms of ZIF-8(Zn)are experimentally determined through the volume method,substantiating the relative reliability of the simulation results.Building upon this foundation,adsorption capacities and heats under diverse temperature and pressure conditions are computed.The findings reveal a temperature-dependent decline in adsorption capacity,while adsorption capacity increases with pressure,initially exhibiting a rapid ascent followed by a gradual plateau.The adsorption heat between ZIF-8(Zn)and CO_(2)surpasses that among CO_(2)molecules,with intermolecular adsorption heat of CO_(2)increasing with pressure or for the carbon dioxide adsorption process on ZIF-8(Zn).
作者
张舵咏
苏亭宇
张宸
张鑫琦
田永强
吴承刚
蔡传琦
朱金庆
王丽伟
ZHANG Duoyong;SU Tingyu;ZHANG Chen;ZHANG Xinqi;TIAN Yongqiang;WU Chenggang;CAI Chuanqi;ZHU Jinqing;WANG Liwei(Key Laboratory of Power Machinery and Engineering of MOE,School of Mechanical Engineering,Shanghai Jiao Tong University,Shanghai 200240,China;China-UK Low Carbon College,Shanghai Jiao Tong University,Shanghai 201306,China;College of Smart Energy,Shanghai Jiao Tong University,Shanghai 200240,China;CPI Xinjiang Energy&Chemical Industry Group Co.,Ltd.,Urumchi 830000,China;SPIC Xinjiang Wucaiwan Power Generation Co.,Ltd.,Changji 831100,China)
出处
《工程热物理学报》
EI
CAS
CSCD
北大核心
2024年第6期1690-1695,共6页
Journal of Engineering Thermophysics
基金
国家杰出青年基金项目(No.51825602)。
