Adsorption of CHF3 in Carbon Nanotubes:a Molecular Simulation Study
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.
organic rankine cyclepyrolysis of working fluidadsorptioncarbon nanotubes
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