Modelling VLE of supercritical CO_2 + alkanol mixtures using RG-CPA EOS
Yang Zhen
Abstract
Yang Zhen
Abstract
Considering the contribution of association and the density fluctuations,an equation of state(EOS)based on the original cubic-plus-association(CPA)EOS and the renormalization group theory(RG)was extended to binary mixtures.The binary interaction parameters were obtained by fitting the vapor-liquid equilibrium(VLE)data at one temperature,and then were used to predict the VLE data at other temperatures.The RG-CPA EOS was used to predict the VLE and the critical line of the supercritical CO2-1-alkanol(n=1—8)binary mixtures,which are nonideal systems with association.Using temperature independent binary interaction parameters,satisfactory results for composition and density of both vapor and liquid phases were obtained by the RG-CPA EOS.The overall average absolute derivations of composition in liquid and vapor were 0.032 and 0.019 respectively.In addition,the RG-CPA EOS can successfully reproduce the vapor liquid critical line of these binary mixtures,which is much better than the original CPA EOS.
A significance statement is not available in the OpenAlex record.
A contribution statement is not available in the OpenAlex record.
Method details are not available in the OpenAlex metadata.
Findings are not separately available in the OpenAlex metadata.
Limitations are not available in the OpenAlex metadata.
Application details are not available in the OpenAlex metadata.
Considering the contribution of association and the density fluctuations,an equation of state(EOS)based on the original cubic-plus-association(CPA)EOS and the renormalization group theory(RG)was extended to binary mixtures.The binary interaction parameters were obtained by fitting the vapor-liquid equilibrium(VLE)data at one temperature,and then were used to predict the VLE data at other temperatures.The RG-CPA EOS was used to predict the VLE and the critical line of the supercritical CO2-1-alkanol(n=1—8)binary mixtures,which are nonideal systems with association.Using temperature independent binary interaction parameters,satisfactory results for composition and density of both vapor and liquid phases were obtained by the RG-CPA EOS.The overall average absolute derivations of composition in liquid and vapor were 0.032 and 0.019 respectively.In addition,the RG-CPA EOS can successfully reproduce the vapor liquid critical line of these binary mixtures,which is much better than the original CPA EOS.
Key concepts: Supercritical fluid, Thermodynamics, Binary number, Chemistry, Vapor–liquid equilibrium, Flory–Huggins solution theory, Equation of state, Binary system