CO2 Separation with Ionic Liquids

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CO2 Separation with Ionic Liquids ( co2-separation-with-ionic-liquids )

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Supporting Information Table S1. Critical properties together with molecular weight and acentric factor for ChCl/Urea (1:2) 1 Property Tb (K) Tc (K) Pc (MPa) Vc (m3∙kmol-1) Values 445.6 644.4 4.935 0.25437 Table S2. Characteristic Volume for the Brelvi-O’Connell Model Parameter ChCl/Urea (1:2)* H2O CO2 CH4 M (g∙mol-1) 86.58 w 0.661 O2 0.0734 O2 H2O 144.408 -7775.06 -18.40 -0.00944 cij= cji 0.20 0.20 0.20 0.2 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 VBO 0.263 0.0464 0.0939 0.0992 N2 0.0896 N2 H2O 164.99 -8432.77 -21.558 -0.00844 bji 3032.59 0.00 134.90 -3268.14 562.113 -36.5619 -107.244 43.035 176.383 245.817 -122.821 -168.446 4.268 *The critical volume was used as the characteristic volume for ChCl/Urea (1:2). Table S3. Parameters for calculating the Henry’s Constant in eq 10 (in bars) Solute i Solvent j Aij Bij Cij Dij CO2 ChCl/Urea (1:2) 242.95 -3055.05 -47.00 0.13 CH4 ChCl/Urea (1:2) 16.16 1438.44 -4.42 0.03 CO2 H2O 159.87 -8741.55 -21.69 0.00110 CH4 H2O 183.78 -9111.67 -25.04 0.000143 bij -1236.14 -10000.00 -538.95 -3268.14 1948.87 143.351 182.272 14.263 -89.041 -131.978 133.685 189.157 -5.121 Table S4. The NRTL binary interaction parameters to eq 8 Component i CO2 CH4 H2O CO2 CH4 N2 O2 CO2 CO2 CO2 CH4 CH4 N2 Component j aij ChCl/Urea (1:2) 0.50 ChCl/Urea (1:2) 39.50 ChCl/Urea (1:2) 1.61 H2O 10.064 H2O 0 H2O 0 H2O 0 CH4 0 N2 0 O2 0 N2 0 O2 0 O2 0 aji -4.48 0.00 -0.48 10.064 0 0 0 0 0 0 0 0 0 27

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