碳纳米管吸附CHF3的分子模拟研究
Adsorption of CHF3 in Carbon Nanotubes:a Molecular Simulation Study
刘浏 1刘朝 1刘浪 1李期斌1
作者信息
- 1. 重庆大学能源与动力工程学院,低品位能源利用技术及系统教育部重点实验室,重庆 400044
- 折叠
摘要
有机朗肯循环中工质可能发生热分解,分解产物对循环性能产生较大影响.本文提出采用多孔材料对热解气体产物进行吸附的方法,以减小工质热解对系统性能的负面影响.采用巨正则蒙特卡洛模拟研究了工质HFO-1234yf主要分解产物CHF3气体在碳纳米管(CNT)中的吸附特性,探究了 CNT直径、温度及电荷对吸附的影响.结果表明,(6,6)CNT有着较高CHF3饱和吸附量(2.06 mol·kg-1)以及极高的选择系数,但直径较大的CNT更偏向吸附工质HFO-1234yf;温度的升高导致(6,6)CNT对CHF3的吸附量以及选择系数下降:同时带0.05e正电荷的CNT对CHF3吸附量增加近50％,选择系数也有极大提升.
Abstract
Thermal decomposition of working fluid may occur in organic Rankine cycle,and the decomposition products have great influence on the performance of cycle.In order to reduce the negative impact of pyrolysis of working fluid on the system,a method of adsorption of pyrolytic gas products by using porous materials is proposed.The adsorption characteristics of CHF3(main decomposition product of working fluid HFO-1234yf)in carbon nanotubes were studied by means of GCMC.The effects of CNT diameter,temperature and charge on adsorption are investigated.The results show that(6,6)CNT has a higher saturation adsorption capacity of CHF3(2.06 mol·kg-1)and high selectivity coefficient,but CNTs with larger diameter are inclined to adsorb HFO-1234yf.The adsorption capacity and selection coefficient of(6,6)CNT on CHF3 decreased with the increase of temperature.At the same time,the adsorption capacity of CHF3 in CNT with 0.05e positive charge increases by nearly 50％,and the selection coefficient is also greatly improved.
关键词
有机朗肯循环/工质热解/吸附/碳纳米管Key words
organic rankine cycle/pyrolysis of working fluid/adsorption/carbon nanotubes引用本文复制引用
出版年
2024
NETL
NSTL
万方数据