Vapor-liquid equilibrium and molecular simulation data for carbon dioxide (CO 2 ) + trans-1,3,3,3-tetrafluoroprop-1-ene (R-1234ze(E)) mixture at temperatures from 283.32 to 353.02 K and pressures up to 7.6 MPa

International audienceIsothermal Vapor-Liquid Equilibrium (VLE) data for the binary mixture of CO 2 + R-1234ze(E)(trans-1,3,3,3-tetrafluoroprop-1-ene) were measured using a static-analytic method apparatus at seven temperatures between 283.32 and 353.02 K and pressures up to 7.6 MPa. For temperatures over the critical temperature of pure CO 2 , the critical compositions and pressures of binary mixtures were approximated applying power laws with asymptotic behavior at critical point. The data were well correlated using the Peng-Robinson equation of state incorporating the generalized alpha function, with the Wong-Sandler mixing rules involving NRTL activity coefficient model. The experimental and correlated phase compositions were compared with Gibbs Ensemble Monte Carlo simulation data obtained at 293.15 K and 353.02 K. Though the molecular simulation predictions at low temperature (293.15 K) properly match experimental data, a slight shift appeared at high temperature (353.02 K), and the expected convergence of phase compositions near critical point was not fully observed