- Page 1 and 2: Aspen Physical Property System Phys
- Page 3 and 4: Contents Contents..................
- Page 5 and 6: General Pure Component Solid Molar
- Page 7 and 8: 1 Introduction This manual describe
- Page 9 and 10: Pure Component Temperature- Depende
- Page 11 and 12: the Properties Parameters Pure-Comp
- Page 13: 2 Thermodynamic Property Models Thi
- Page 17 and 18: Property Model Model Name 2 Thermod
- Page 19 and 20: Where: Parameter Name/Element 2 The
- Page 21 and 22: critical temperature, the critical
- Page 23 and 24: Where the ideal-gas contribution
- Page 25 and 26: , where � For polar, associating
- Page 27 and 28: Parameter Name/ Element 2 Thermodyn
- Page 29 and 30: The denominator of equation 8 is gi
- Page 31 and 32: V. V. De Leeuw and S. Watanasiri, "
- Page 33 and 34: References M. Benedict, G. B. Webb,
- Page 35 and 36: References L. Haar, J.S. Gallagher,
- Page 37 and 38: Parameter Name/Element NTHDDH 0 †
- Page 39 and 40: Gibbs free energy departure: The fo
- Page 41 and 42: For a block copolymer, there is onl
- Page 43 and 44: Copolymer PC-SAFT Dispersion Term T
- Page 45 and 46: The association-site number of the
- Page 47 and 48: Then I2(�) and I3(�) are comput
- Page 49 and 50: A databank called PC-SAFT contains
- Page 51 and 52: Parameter Name/Element PRKBV/1 k ij
- Page 53 and 54: Predictive SRK (PSRK) This model us
- Page 55 and 56: ka,ij kb,ij = = For best results, b
- Page 57 and 58: J. Schwartzentruber and H. Renon, "
- Page 59 and 60: Redlich-Kwong-Soave-MHV2 This equat
- Page 61 and 62: ‡ RKUC0, RKUC1, and RKUC2 are tre
- Page 63 and 64: Parameter Name/ Element SRKLIJ/3 l
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Parameter Name/ Element Symbol Defa
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Association Equilibria Every associ
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and respectively. For the reactions
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R. W. Long, J. H. Hildebrand, and W
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Where the L, M, and N are parameter
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Alpha function Model name First Opt
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mi = Computed by equation 6 Equatio
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Parameter Name/Element 2 Thermodyna
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standard RKS alpha function, except
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These mixing rules are discussed se
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Where both Ai* and Am are calculate
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Like Huron and Vidal, the limiting
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Model Type Wilson Local composition
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Therefore, the simplified Pitzer eq
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Parameter Name/Element Symbol Defau
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Where: �i 2 Thermodynamic Propert
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The electrolyte NRTL model uses the
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Parameter Symbol No. of Name Elemen
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with Where: xi = Mole fraction of c
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It should be understood that equati
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The reference Gibbs energy is deter
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Where: j and k can be any species (
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The pure component dielectric const
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2 Thermodynamic Property Models 109
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�I *PDH = Pitzer-Debye-Hückel te
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Where: �i Vi = Activity coefficie
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Recommended cij Values for Differen
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Parameter Name/ Element 2 Thermodyn
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NRTL-SAC Reference States The NRTL-
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2 Thermodynamic Property Models 121
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For an anionic component, we have M
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For a molecular segment, the activi
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Specifically, The long range intera
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where and are activity coefficients
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and Y+, are used to reflect the wid
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Parameter Name/ Element Symbol Defa
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Reference C.-C. Chen and Y. Song, "
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Parameter Name GMPTPS, GMPTP1, GMPT
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zi = Charge of ion i Subscripts c,
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For option code = 0 (default), the
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and for n-m electrolytes: 2 Thermod
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= 0.00979 Perform the necessary con
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Pitzer, K.S., J.R. Peterson, and L.
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A4,ij = gij / T + hij A5,ij = mij /
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Symmetric and Unsymmetric Electroly
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Parameter Symbol No. of Name Elemen
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Reference state for ionic component
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with 2 Thermodynamic Property Model
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G for these pairs is calculated the
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with 2 Thermodynamic Property Model
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2 Thermodynamic Property Models 163
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Activity Coefficient Basis for Henr
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Where is the liquid Gibbs free ener
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Ionic components 2 Thermodynamic Pr
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the pure fused salts. Applying Eq.
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�k is the activity coefficient of
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References U. Weidlich and J. Gmehl
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ti' = �ij 2 Thermodynamic Propert
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Wagner Interaction Parameter The Wa
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References G.M. Wilson, J. Am. Chem
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Extended Antoine Equation Parameter
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IK-CAPE Vapor Pressure Equation The
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Harlacher and Braun, "A Four-Parame
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Parameter Name/Element 2 Thermodyna
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General Pure Component Heat of Vapo
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IK-CAPE Heat of Vaporization Equati
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Where: xp = Mole fraction of pseudo
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Parameter Name/Element VLBROC/1 V i
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Where: Vm l,t = Liquid volume per n
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Debye-Hückel Volume The Debye-Hüc
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DIPPR DIPPR equation 105 is the def
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Rackett The Rackett equation is: Wh
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Rackett/Campbell-Thodos Mixture Liq
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Zm RA Zi *,RA Vcm 2 Thermodynamic P
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General Pure Component Solid Molar
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Liquid Volume Quadratic Mixing Rule
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If THRSWT/6 is This equation is use
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Parameter Symbol Default MDS Lower
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General Pure Component Ideal Gas He
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(Other DIPPR equations may sometime
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General Pure Component Solid Heat C
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Parameter Name/Element 2 Thermodyna
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The expression for the liquid mole
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� Entropy: � Heat capacity: �
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Parameter Name † /Element CPIXPn/
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Option Codes for Electrolyte NRTL E
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Parameter Name Applicable Component
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For subcritical components: Hm l -H
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The vapor enthalpy is calculated fr
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Where: 2 Thermodynamic Property Mod
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Correlation algorithms for ionic sp
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Model Model name Phase(s) Pure Mixt
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Model Type Aspen Liquid Mixture Vis
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(Other DIPPR equations may sometime
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Parameter Symbol Default MDS Lower
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�i = Viscosity of component i (N-
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Parameter Name/Element 3 Transport
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Where: The Stockmayer or Lennard-Jo
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Where: Vcij = �ij = 0 (in almost
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Where: Vcij = �ij = 0 (in almost
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Jones-Dole Electrolyte Correction T
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Letsou-Stiel The Letsou-Stiel model
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Where: The parameter is the mole fr
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Reference C.H. Twu, "Internally Con
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Vcij 3 Transport Property Models 27
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You must provide parameters for the
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Linear extrapolation of � *,l ver
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If TRNSWT/4 is This equation is use
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Parameter Name/Element 3 Transport
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Parameter Name/Element 3 Transport
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Parameter Symbol Default MDS Lower
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Parameter Name/Element 3 Transport
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References R.C. Reid, J.M. Prausnit
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The mixture surface tension is then
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Parameter Name/Element 3 Transport
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Where: �solv = Dielectric constan
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4 Nonconventional Solid Property Mo
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wij = Mass fraction of the jth cons
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The oxygen and organic sulfur conte
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Parameter Name/Element Symbol Defau
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The complete oxidation of carbon is
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Parameter Name/Element Symbol Defau
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The equation for �i dm is good fo
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5 Property Model Option Codes The f
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Model Name Option Code 5 Property M
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Model Name Option Code 5 Property M
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Soave-Redlich-Kwong Option Codes Th
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Model Name Option Code HLRELNRT and
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Model Name Option Code GLRELNRT, GL
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Index A activity coefficient models
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ideal gas/DIPPR heat capacity model
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S Sato-Riedel/DIPPR thermal conduct