{"title":"Prediction of Henry's Constant in Polymer Solutions using the Peng-Robinson Equation of State","authors":"Somayeh Tourani, Alireza Behvandi","volume":52,"journal":"International Journal of Materials and Metallurgical Engineering","pagesStart":360,"pagesEnd":365,"ISSN":"1307-6892","URL":"https:\/\/publications.waset.org\/pdf\/4495","abstract":"
The peng-Robinson (PR), a cubic equation of state (EoS), is extended to polymers by using a single set of energy (A1, A2, A3) and co-volume (b) parameters per polymer fitted to experimental volume data. Excellent results for the volumetric behavior of the 11 polymer up to 2000 bar pressure are obtained. The EoS is applied to the correlation and prediction of Henry constants in polymer solutions comprising three polymer and many nonpolar and polar solvents, including supercritical gases. The correlation achieved with two adjustable parameter is satisfactory compared with the experimental data. As a result, the present work provides a simple and useful model for the prediction of Henry's constant for polymer containing systems including those containing polar, nonpolar and supercritical fluids.<\/p>\r\n","references":"[1] Flory, P. J., Principles of Polymer Chemistry, Ithaca, NY, Cornell\r\nUniversity Press (1953).\r\n[2] Oishi, T. and J. M. Prausnitz, \"Estimation of solvent activities in polymer\r\nsolutions using a group-contribution method,\" Industrial & Engineering\r\nChemistry, Process Design and Development, 17, 333-339 (1978).\r\n[3] Elbro, H. S., A. Fredenslund and P. Rasmussen, \"A new simple equation\r\nfor the prediction of solvent activities in polymer solutions,\" Macromolecules,\r\n23, 4707- 4714 (1990).\r\n[4] Bondi, A., Physical Properties of Molecular Crystals, Liquids, and Glasses,\r\nNew York, John Wiley & Sons (1968).\r\n[5] Radfarnia, H. R., G. M. Kontogeorgis, C. Ghotbi and V. Taghikhani,\r\n\"Classical and recent free-volume models for polymer solutions: A\r\ncomparative evaluation,\"Fluid Phase Equilibria, 257, 63-69 (2007).\r\n[6] Zhong, C., Y. Sato, H. Masuoka and X. Chen, \"Improvement of predictive\r\naccuracy of the UNIFAC model for vapor-liquid equilibria of polymer\r\nsolutions,\" Fluid Phase Equilibria, 123, 97-106 (1996).\r\n[7] Morris, W. O., P. Vimalchand and M. D. Donohue, \"Perturbed-soft-chain\r\ntheory: An equation of state based on the Lennard-Jones potential,\" Fluid\r\nPhase Equilibria, 32, 103-115 (1987).\r\n[8] High, M. S. and R. P. Danner, \"Application of the group contribution\r\nlattice-fluid equation of state to polymer solutions,\" AIChE Journal, 36, 1625-\r\n1632 (1990).\r\n[9] Chen, F., A. Fredenslund and P. Rasmussen, \"Group-contribution Flory\r\nequation of state for vapor-liquid equilibria in mixtures with polymers,\"\r\nIndustrial & Engineering Chemistry Research, 29, 875-882 (1990).\r\n[10] Akbarzadeh ,K., M.Moshfeghian, \"Application of the polymer chain-ofrotator\r\n(PCOR) equation of state and its extension to polymer blends\", Fluid\r\nPhase Equilibria 187-188 , 347361 (2001) .\r\n[11] Harismiadis, V. I., G. M. Kontogeorgis, A. Fredenslund and D. P.\r\nTassios, \"Application of the van der Waals equation of state to polymers II.\r\nPrediction\" ,Fluid Phase Equilibria, 96, 93-117 (1994).\r\n[12] Peng, D. and D. B. Robinson, \"New two-constant equation of state,\"\r\nIndustrial & Engineering Chemistry Fundamentals, 15(1), 59-64 (1976).\r\n[13] Androulakis, I.P., N.S. Kalospiros, and D.P. Tassios, Thermophysical\r\nproperties of pure polar and nonpolar compounds with a modified VdW-711\r\nequation of state, Fluid Phase Equil., 45, 135-163 (1989).\r\n[14] Louli, V. and D. Tassios, \"Vapor-liquid equilibrium in polymer-solvent\r\nsystems with a cubic equation of state,\" Fluid Phase Equilibria, 168, 165-182\r\n(2000).\r\n[15] Kontogeorgis, G. M., A. Fredenslund and D. P. Tassios, \"Simple activity\r\ncoefficient model for the prediction of solvent activities in polymer solutions,\"\r\nIndustrial and Engineering Chemistry Research, 32, 362-372 (1993).\r\n[16] Patrick A. Rodgers,\"Pressure-volume-temperature relationships for\r\npolymeric liquids: A review of equations of state and their characteristic\r\nparameters for 56 polymers\", Journal of Applied Polymer Science, 48, 1061-\r\n1079(1993).\r\n[17] Zhong , C. and H. Masuoka,\" Prediction of Henry's constants for\r\npolymer-containing systems using the SRK equation of state coupled with a\r\nnew modified UNIFAC model \",Fluid Phase Equilibria,126,1-12(1996).\r\n[18] Maloney, D. and J. Prausnitz,\"Solubility of ethylene and other organic\r\nsolutes in liquid, low density polyethylene in the region 124 o to 300 o c\",\r\nAIChE Journal, 22,74-82(1976).\r\n[19] Leonard , I. and D. Harnish, \"Solubility of gases and liquids in molten\r\npolystyrene\", AIChE journal, 22, 117-121(1976).\r\n[20] Liu, D. M. Prausnits,\"Solubilities of volatile solutes in poly vinyl acetate\r\nfrom 125 to 200oC\", Journal of polymer science, 15, 145-153(1977).","publisher":"World Academy of Science, Engineering and Technology","index":"Open Science Index 52, 2011"}