e electrolyte-nrtl model electrolyte solutions activity coefficient models for Bromley extension

Transcription

1 729 Index a α-function generalized Soave Redlich Kwong 48 Peng Robinson 48 Mathias Copeman 53 Twu absorption process , acentric factor 46, 71ff activity and activity coefficient , 188, , Bromley extension Debye Hückel limiting law electrolyte-nrtl model LIQUAC model Mean Spherical Approximation (MSA) model 396 Pitzer model pressure dependence temperature dependence adiabatic compression and expansion advanced cubic equations of state Aly Lee equation 106 Antoine constants 546 Antoine equation apparent permeability constant 444 applications practical adiabatic compression and expansion equilibrium thermodynamics limitations flash Joule Thomson effect pressure relief special formaldehyde solutions vapor phase association ARTIST software package 489 ASOG method 293 azeotropic behavior occurrence, conditions for azeotropic points 197 investigation in multicomponent systems , temperature dependence of azeotropic composition 243, , 307, 321, b Bancroft point 255 Barker Henderson perturbation theory 464 Berlin form of virial equation 659 Born term 381, 396 Boyle curve 39 Brock Bird Miller equation 134 Bromley extension c caloric properties 10 14, 333, , caloric equations of state entropy Helmholtz energy and Gibbs energy internal energy and enthalpy chemical reactions enthalpy descriptions in process simulation programs G-minimization technique Canizzarro reaction 572 Cardano s formula 42, Chemical Thermodynamics: for Process Simulation, First Edition. Jürgen Gmehling, Bärbel Kolbe, Michael Kleiber, and Jürgen Rarey Wiley-VCH Verlag GmbH & Co. KGaA. Published 2012 by Wiley-VCH Verlag GmbH & Co. KGaA.

2 730 Index chemical equilibrium influence of the real behavior multiple Gibbs energy minimization relaxation method chemical potential 154 equivalence of, for pure compounds mixtures polymer solutions Chung equation 130 Clausius Clapeyron equation 26, 27, 56, 75, 99, 100, 216, 236, 347, 572 cloud point curve 450, 479 complex electrolyte systems correlation corresponding-states principle COSTALD method 67, 95 Coulomb s law 368 Cox charts 86 critical condensation point 182 critical locus 183 critical mass flow 603 critical opalescence 8 cross virial coefficients 163 cryoscopic constant 418 cubic equations of state 40 45, d Dalton s law 155 Debye Hückel limiting law Debye Hückel term 381 degree of freedom 103 departure functions 19 differential relationships diffusion coefficients dissociation equilibrium Dortmund Data Bank (DDB) current status of 488 Dortmund Data Bank Software Package (DDBSP) 489, 490, e electrolyte-nrtl model electrolyte solutions activity coefficient models for Bromley extension Debye Hückel limiting law electrolyte-nrtl model LIQUAC model Mean Spherical Approximation(MSA) model 396 Pitzer model complex electrolyte systems dissociation equilibrium salt influence on vapor-liquid equilibrium behavior solvent activity in thermodynamics of enantiotropy 406 enthalpy 11, 12, 15, descriptions, in process simulation programs equation of state internal energy vaporization enthalpy of reaction real gas behavior consideration on temperature dependence entrainer selection for azeotropic and extractive distillation entropy 11 equations of state 27 advanced cubic application to mixtures cubic equations of state virial equation caloric entropy Helmholtz energy and Gibbs energy internal energy and enthalpy coefficients for high precision cubic fugacity coefficient for pressure-explicit of PSRK of Soave Redlich Kwong of virial equation (Berlin form) 668 of virial equation (Leiden form) generalized group contribution high precision polymer thermodynamics predictive Soave Redlich Kwong process simulation programs solubility of gases in liquids van der Waals 40 vapor liquid equilibrium calculation using fitted binary parameter of cubic equations of state virial equation 27 32

3 Index 731 VTPR group contribution equation of state equilibrium thermodynamics limitations Euler theorem eutectic systems, and solid liquid equilibrium (SLE) f Fenske equation 230 Fick s first law 137 flash Flory Huggins equation , ofpsrkg E mixing rule 172 fluid systems, phase equilibrium in application of activity coefficient models conditions for the occurence of azeotropic behavior g E model parameters fitting recommended model parameters VLE data check for thermodynamic consistency liquid liquid equilibrium calculation using the K-factor method diagrams 274, 276 isoactivity criterion 273, 275 pressure dependence temperature dependence of ternary systems predictive models group contribution methods predictive Soave Redlich Kwong equation of state regular solution theory UNIFAC method VTPR group contribution equation of state solubility of gases in liquids calculation using equations of state calculation using Henry constants prediction thermodynamic fundamentals vapor liquid equilibrium calculation, using equation of state binary parameter fitting of cubic equations of state vapor liquid equlibria using g E models formaldehyde solutions freezing point depression fugacity and fugacity coefficient 19 23, 188 for pressure-explicit equation of state of PSRK equation of state of Soave Redlich Kwong equation of state of virial equation (Berlin form) 668 of virial equation (Leiden form) in mixtures 159 ideal phase equilibrium Fuller method 137 g Gauss Hermitian quadrature g E mixing rule , 241 g E models , fitting of model parameters recommended model parameters generalized equations of state Gibbs Duhem equation 140, , 162, 372, 709 Gibbs energy 11, 21, 26, , , , , 357, 360, 362, 372, 377, 409, 452, 453, , 554, 655 minimization , standard enthalpy and Gibbs Helmholtz equation 201, 216, 227, 228, 254, 374 Gibbs phase rule 42 group contribution methods group interactions 70 Guldberg rule 66 h Helmholtz energy 11, 114, , 465 Henry s law 262 Henry constant high precision equation of state 32 39, Hoffmann Florin equation Huron Vidal-g E mixing rule 166, 168

4 732 Index i ideal gases 14 15, 27 derivation of expressions for the speed of sound heat capacity polynomial coefficients for selected compounds 711 ideal mixture of maximum mass flux ideal mixture of ideal gases of real fluids interaction parameters 380 internal energy, of system 10 inverse gas chromatography 456 inverse reduced viscosity 121 isofugacity condition 187 isothermal compressibility factor 17 j Jamieson equation 126 Joback method 66 67, 87, 88, 108 estimation formula 72 group contributions for 68 Joule Thomson effect Joule Thomson inversion curve 39 k Kelvin equation derivation of Kirchhoff s law 527, 534, 546 Kirchhoff equation 83, 116 Koningsveld Kleintjens model Krichevsky Kasarnovsky equation 267 l Lee Kesler approach 162 Lee Kesler Plöcker equation 163 Leiden form of virial equation 659 Lewis Randall rule 160 LIFAC method 317 Li method 128 linear low-density polyethylene (LLDPE) 481 LIQUAC model , 429, 430 liquid density liquid heat capacity liquid liquid equilibrium (LLE) 179, 212, polymer solutions , pressure dependence 288 temperature dependence of ternary liquid thermal conductivity liquid viscosity local composition 207 lower critical solution temperature (LCST) 275, 462 Lucas equation m Mathcad examples Mathias Copeman α-function 53 Maurer model , 608 Maxwell s equal area construction 43 Maxwell relations 13, 18 mean ion activity coefficient 372 Mean Spherical Approximation (MSA) model 396 membrane processes osmosis pervaporation Microsoft Excel Microsoft Office Visual Basic for Application Missenard method 128 mixture properties 147 activity and activity coefficient application of equation of state to mixtures cubic equations of state virial equation excess properties fugacity in mixtures 159 of ideal mixture phase equilibrium Gibbs Duhem equation ideal mixture of ideal gases of real fluids partial molar properties property change of mixing and molality 366 monotropy 406 multiple chemical equilibrium Gibbs energy minimization relaxation method n Nernst distribution coefficients 276 NRTL model 213, , , 709 recommended model parameters 233 Nußelt number 126

5 Index 733 o opposite lever arms, law of 180 osmosis osmotic coefficient 373ff osmotic pressure 439, 442 p pair parameters 380 partial condensation 606 partial molar Gibbs energy 155, 156, 160 Peng Robinson equation 48, 99, 101, , 339, 352 generalized α-function 48 permanent gases 8 9 Perturbed-Chain-SAFT (PC-SAFT) model Perturbed-Chain-SAFT EOS (PC-SAFT EOS) 463 pervaporation phase equilibrium 23 27, See also fluid systems, phase equilibrium in for closed system for fully closed system Pitzer model Planck Einstein function 104 polydispersity 450, polymer thermodynamics g E models equation of state polydispersity influence polymorphism 406 Porter equation 152, 198, 262, 421 Poynting factor (Poy i ) 189, 432, 433 Prandtl number 126 Prausnitz Shair method 271 predictive models group contribution methods predictive Soave Redlich Kwong equation of state regular solution theory UNIFAC method VTPR group contribution equation of state predictive Soave Redlich Kwong (PSRK) 271, difference between VTPR and 317 pressure relief , process simulation programs 1 2 enthalpy descriptions in equation of state model parameter verification 492 g E model parameter verification pure component parameter verification notation of equations in PT-graph 9 PSRK 166, , parameters pure component parameters pure component properties, correlation and estimation of 65 characteristic physical property constants acentric factor critical data melting point and enthalpy of fusion normal boiling point standard enthalpy and standard Gibbs energy of formation correlation and estimation of transport properties 114 diffusion coefficients liquid thermal conductivity liquid viscosity surface tension vapor thermal conductivity vapor viscosity temperature-dependent properties enthalpy of vaporization ideal gas heat capacity liquid density liquid heat capacity speed of sound vapor pressure pure components, PvT behavior of 5 caloric properties equations of state 27 advanced cubic cubic generalized high precision virial equation ideal gases real fluids auxiliary functions fugacity and fugacity coefficient phase equilibrium residual functions PvT-diagram 6 Pxy-diagram ,

6 734 Index r Rackett equation 94 Raoult s law 197, 206 Rarey/Moller method Rarey/Nannoolal methods 69 70, 72, 74, 116 reaction kinetics 608 real fluids auxiliary functions fugacity and fugacity coefficient ideal mixture of phase equilibrium residual functions real gas, expression derivation for speed of sound Rectisol process 262 Redlich Kister expansion 198, 199 Redlich Kister test , Redlich Kwong equation 44 refrigeration arrangement, scheme of 599 regression technique for binary parameters for pure component data Regula Falsi method regular solution theory , relaxation method residual curves boundary residual curves , retrograde condensation 183 reverse osmosis 439 Roy Thodos method 131 s salting out 398 salt solubility Sato Riedel equation 127 saturated liquid 23 saturated vapor 23 Schulz Flory distribution 446 Schwarz theorem 13 separation technology, thermodynamic application in azeotropic points in multicomponent systems entrainer selection for azeotropic and extractive distillation extractive distillation applicability examination, for the separation of aliphatics from aromatics model parameter verification, prior to process simulation 492 g E model parameter verification pure component parameter verification residue curves, distillation boundaries, and distillation regions solvent selection, for separation processes Simon Glatzel equation 75, 77, 427 pressure dependence of melting point description using 76 Simplex Nelder Mead method 218 Soave Redlich Kwong equation 47 48, 101, , 339, generalized α-function 48 solid liquid equilibrium (SLE) 179, 405, diagrams 407 with intermolecular compound formation in solid state pressure dependence of 427 salt solubility of simple eutectic systems freezing point depression solubility of solids in supercritical fluids of systems with solid solutions ideal systems nonideal systems solubility, of gases in liquids calculation using equation of state calculation using Henry constants prediction solution of groups concept solvation 368 speed of sound 105, expression derivation, for ideal and real gases as maximum velocity in adiabatic pipe with constant cross-flow area 685 specific heat capacity 15, 102ff state variable and partial molar property, relationship between Statistical Association Fluid Theory (SAFT) 463 Stiel Thodos equation 132 supercritical fluids, solubility of solids in surface tension

7 Index 735 t Tait equation 96 ternary azeotrope 185 thermal expansion coefficient 17 thermodynamics first Law 10 secondlaw 11 third Law 12 throttle valve 591 Twu-α-function Txy-diagram 180 Tyn/Calus equation 139 u UNIFAC , 515, 521, modified , 412 parameters parameters weaknesses of group contribution methods UNIQUAC equation 207, 213, 233, 279, 283, 294, 496, 500, 678, 709 recommended model parameters 231 upper critical solution temperature (UCST) 275, 462 v van t Hoff equation, application of 200, 269, 428, 533, 572, 651 van der Waals equation of state 40 van Velzen method 116 vapor fraction 24 vapor liquid equilibrium (VLE) 179, 193, 196, 217, 220, 226 calculation, using equation of state binary parameter fitting of cubic equations of state data check for thermodynamic consistency recommended g E model parameters diagrams 196 salt influence on usingg E models vapor liquid separator 591 vapor phase association 343, vapor pressure vapor thermal conductivity vapor viscosity Vignes correlation 140 virial equation 27, estimation of second virial coefficients Tsonopoulos method 30 Hayden O Connell method 30 Visual Basic for Application volume-translated Peng Robinson equation (VTPR) 55, 67, 170 group contribution equation of state parameters w Wagner equation 81, Walden rule 75 Wassiljeva mixing rule 132 Watson equation 98, 133 Wilke mixing rule 124, 132 Wilson equation , 213, 278, 548, 678, 709 derivation inability, to describe miscibility gaps recommended model parameters 232 Wood s metal 406 z Zeno line 39

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