Experimental density and PC-SAFT modeling of Krytox® (perfluoropolyether) at pressures to 275 MPa and temperatures to 533 K

Density data from 298 to 533 K and to 275 MPa are reported for Krytox® GPL 102, a poly(perfluoropropyl ether) (PFPE) with a CF3-branched fluoropropylether repeat group. The Tait equation fit to each density isotherm have mean absolute percent deviations (MAPD) between 0.11 and 0.30% with standard deviations (SD) not exceeding 0.20%. The perturbed-chain statistical associating fluid theory (PC-SAFT) fit to the density data has an MAPD of 0.67% and an SD of 0.67%. Likewise the PC-SAFT fit to previously reported density data of Demnum®, a PFPE with an n-fluoropropylether repeat group, has an MAPD of 0.22% and a SD of 0.21% for Demnum® S-20 and an MAPD of 0.27% with a SD of 0.14% for Demnum® S-65. The trends exhibited by the PC-SAFT pure component parameters obtained from the fits of these three PFPEs are similar to those reported for linear and branched hydrocarbons with the same number of carbons.

[1]  J. Gross,et al.  Phase behavior of the system hyperbranched polyglycerol + methanol + carbon dioxide , 2010 .

[2]  Mark A. McHugh,et al.  Equation of state modeling of high-pressure, high-temperature hydrocarbon density data , 2010 .

[3]  A. Allal,et al.  Free-volume viscosity model for fluids in the dense and gaseous states. , 2001, Physical review. E, Statistical, nonlinear, and soft matter physics.

[4]  Nicolas von Solms,et al.  A Predictive Group-Contribution Simplified PC-SAFT Equation of State: Application to Polymer Systems , 2008 .

[5]  Kun Liu,et al.  Experimental measurements and equation of state modeling of liquid densities for long-chain n-alkanes at pressures to 265 MPa and temperatures to 523 K , 2011 .

[6]  J. J. Kauzlarich Viscosity times density equations for five classes of lubricants , 1998 .

[7]  Gabriele Sadowski,et al.  Perturbed-Chain SAFT: An Equation of State Based on a Perturbation Theory for Chain Molecules , 2001 .

[8]  S. Aparicio Phase equilibria in perfluoroalkane + alkane binary systems from PC-SAFT equation of state , 2008 .

[9]  H. Kubota,et al.  Density and viscosity of linear perfluoropolyethers under high pressures , 1989 .

[10]  Nicolas von Solms,et al.  Novel Method for Estimating Pure-Component Parameters for Polymers: Application to the PC-SAFT Equation of State , 2004 .

[11]  M. Aznar,et al.  Modeling of thermodynamic behavior of PVT properties and cloud point temperatures of polymer blends and polymer blend + carbon dioxide systems using non-cubic equations of state , 2009 .

[12]  R. Dolle,et al.  Development of Polyperfluoroalkylethers as High Temperature Lubricants and Hydraulic Fluids , 1976 .

[13]  W. Jones,et al.  Boundary Lubrication, Thermal and Oxidative Stability of a Fluorinated Polyether and a Perfluoropolyether Triazine , 1980 .

[14]  D. Sianesi,et al.  Perfluoropolyethers: Their physical properties and behaviour at high and low temperatures , 1971 .

[15]  J. Gross,et al.  Phase behavior of hyperbranched polymer systems: experiments and application of the perturbed-chain polar SAFT equation of state. , 2009, The journal of physical chemistry. B.

[16]  B. Wolf,et al.  Temperature and pressure dependence of the viscosities of perfluoropolyether fluids , 1987 .

[17]  J. Gross,et al.  Modeling Copolymer Systems Using the Perturbed-Chain SAFT Equation of State , 2003 .

[18]  M. Michelsen,et al.  Applications of the simplified perturbed-chain SAFT equation of state using an extended parameter table , 2006 .

[19]  M. Cismondi,et al.  PC-SAFT Equation: A Predictive Tool to Determine Experimental Conditions for Polymer Blend Demixing , 2009 .

[20]  M. Kleiner,et al.  Modeling the Phase Behavior of PEO−PPO−PEO Surfactants in Carbon Dioxide Using the PC-SAFT Equation of State: Application to Dry Decontamination of Solid Substrates† , 2009 .

[21]  G. Kontogeorgis,et al.  Thermodynamic Models for Industrial Applications: From Classical and Advanced Mixing Rules to Association Theories , 2010 .

[22]  W. Webb,et al.  Study of the Compressions of Several High Molecular Weight Hydrocarbons , 1958 .

[23]  Joachim Gross,et al.  Modeling of polymer phase equilibria using Perturbed-Chain SAFT , 2002 .

[24]  John H. Dymond,et al.  The Tait equation: 100 years on , 1988 .

[25]  W. R. Jones,et al.  Thermal oxidative degradation reactions of linear perfluoroalkyl ethers , 1983 .

[26]  K. Weale,et al.  683. Pressure–volume–temperature relations in liquids and liquid mixtures. Part I. The compression of n-hexane, n-heptane, n-octane, and of their binary and ternary mixtures, up to 5000 atmospheres , 1951 .

[27]  Joachim Gross,et al.  Modeling Polymer Systems Using the Perturbed-Chain Statistical Associating Fluid Theory Equation of State , 2002 .