506 lines
24 KiB
Plaintext
506 lines
24 KiB
Plaintext
Cyclopentane !Short name
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287-92-3 !CAS number
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Cyclopentane !Full name
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C5H10 !Chemical formula {C5H10}
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C5H10 !Synonym
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70.1329 !Molar mass [g/mol]
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179.7 !Triple point temperature [K]
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322.40 !Normal boiling point [K]
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511.72 !Critical temperature [K]
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4582.8 !Critical pressure [kPa]
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3.92 !Critical density [mol/L]
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0.202 !Acentric factor
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0.0 !Dipole moment [Debye]; van Arkel, A.E., P. Meerburg, and C.R. van der Handel, Rec. Trav. Chim., 61, 767-770 (1942).
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NBP !Default reference state
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10.0 !Version number
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1146 !UN Number :UN:
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naphthene !Family :Family:
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3319.59 !Heating value (upper) [kJ/mol] :Heat:
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1S/C5H10/c1-2-4-5-3-1/h1-5H2 !Standard InChI String :InChi:
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RGSFGYAAUTVSQA-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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76bc0290 (pentane) !Alternative fluid for mixing rules :AltID:
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43ab1810 !Hash number from InChI Key :Hash:
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!The fluid files contain general information about the fluid in the first 15 to 20 lines, followed by sections for the
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! equations of state, transport equations, and auxiliary equations. Equations of state are listed first. The NIST recommended
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! equations begin with a hash mark (#). The secondary equations begin with the @ symbol. These symbols can be swapped to
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! select a secondary equation as primary and the primary as secondary. The equation of state section also contains auxiliary
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! equations for the ideal gas heat capacity or ideal gas Helmholtz energy. Below the equations of state (both primary and
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! secondary) are the transport equations, first viscosity and then thermal conductivity. These are then followed by the
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! secondary equations if available. The transport section also contains auxiliary equations required to calculate either the
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! dilute gas state or the critical enhancement. At the end of the file are additional but not necessary auxiliary equations,
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! including simple equations for the vapor pressure, saturated liquid and vapor densities, melting line (for some fluids), and
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! sublimation line (for even fewer fluids). This section also contains the equations for dielectric constant and surface
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! tension if available. The sections are divided by different symbols (these being _-+=^*~) to aid the eye in locating a
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! particular section. Secondary equations are indented 10 spaces to avoid confusion with the NIST recommended equations. The
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! end of the fluid file is marked with @END. Anything below that is ignored.
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! compiled by E.W. Lemmon, NIST Physical and Chemical Properties Division, Boulder, Colorado
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! 09-02-08 EWL, Original version.
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! 07-01-10 MLH, Add preliminary transport.
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! 08-23-10 IDC, Add ancillary equations.
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! 02-22-10 EWL, Add new equation of state.
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! 04-17-14 EWL, Add surface tension coefficients of Mulero et al. (2014).
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! 04-30-14 EWL, Add final equation of state.
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! 06-30-14 MLH, Update critical parameters in TK3 block.
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! 04-15-15 MLH, Add new Vassiliou et al. (2015) thermal conductivity formulation.
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! 11-21-17 MLH, Revise ECS transport.
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for cyclopentane of Gedanitz et al. (2015).
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:TRUECRITICALPOINT: 511.72 3.92 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T)
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:DOI: 10.1021/je5010164
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Gedanitz, H., Dávila, M.J., and Lemmon, E.W.,
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? "Speed of Sound Measurements and a Fundamental Equation of State for Cyclopentane,"
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? J. Chem. Eng. Data, 60(5):1311-1337, 2015.
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?
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?The uncertainty in density of the equation of state ranges from 0.2% at low
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? temperatures in the liquid to 0.5% at the highest temperatures and in the vapor.
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? Between 280 and 315 K, the uncertainty in saturated liquid density decreases to
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? 0.05%. The uncertainty in the speed of sound is 0.1% and in heat capacities is
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? 1%. The uncertainty in vapor pressure is 0.1% at temperatures between 280 and
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? 325 K. This uncertainty increases to possibly 0.5% at other temperatures due to
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? a lack of reliable experimental data. In the critical region, the uncertainties
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? are higher for all properties.
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?
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!```````````````````````````````````````````````````````````````````````````````
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179.7 !Lower temperature limit [K]
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550. !Upper temperature limit [K]
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250000. !Upper pressure limit [kPa]
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12.11 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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70.1329 !Molar mass [g/mol]
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179.7 !Triple point temperature [K]
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0.0089 !Pressure at triple point [kPa]
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12.1 !Density at triple point [mol/L]
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322.40 !Normal boiling point temperature [K]
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0.202 !Acentric factor
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511.72 4582.8 3.92 !Tc [K], pc [kPa], rhoc [mol/L]
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511.72 3.92 !Reducing parameters [K, mol/L]
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8.3144598 !Gas constant [J/mol-K]
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10 4 5 12 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
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0.0630928 1.0 4. 0. !a(i),t(i),d(i),l(i)
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1.50365 0.29 1. 0.
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-2.37099 0.85 1. 0.
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-0.484886 1.185 2. 0.
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0.191843 0.45 3. 0.
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-0.835582 2.28 1. 2.
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-0.435929 1.8 3. 2.
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0.545607 1.5 2. 1.
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-0.209741 2.9 2. 2.
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-0.0387635 0.93 7. 1.
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0.677674 1.05 1. 2. 2. -0.86 -0.63 1.22 0.684 0. 0. 0.
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-0.137043 4.0 1. 2. 2. -0.85 -2.8 0.32 0.7 0. 0. 0.
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-0.0852862 2.33 3. 2. 2. -0.86 -0.5 0.22 0.77 0. 0. 0.
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-0.128085 1.5 3. 2. 2. -1.53 -0.95 1.94 0.625 0. 0. 0.
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-0.00389381 1.0 2. 2. 2. -5.13 -0.23 1.21 0.42 0. 0. 0.
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eta beta gamma epsilon
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EXP[eta*(delta-epsilon)^2+beta*(tau-gamma)^2]
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#AUX !---Auxiliary function for Cp0
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CPP !Ideal gas heat capacity function for cyclopentane of Gedanitz et al. (2015).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Gedanitz, H., Dávila, M.J., and Lemmon, E.W., 2015.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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1.0 8.3144598 !Reducing parameters for T, Cp0
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1 4 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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4.0 0.0
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1.34 230.0
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13.4 1180.0
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17.4 2200.0
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6.65 5200.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for cyclopentane of Gedanitz et al. (2015).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Gedanitz, H., Dávila, M.J., and Lemmon, E.W., 2015.
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?
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!```````````````````````````````````````````````````````````````````````````````
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1 2 4 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau))
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3.0 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-0.3946228999462562 0.0 !aj, ti for [ai*tau**ti] terms
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2.4918907456695547 1.0 !aj, ti for [ai*tau**ti] terms
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1.34 230.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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13.4 1180.0
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17.4 2200.0
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6.65 5200.0
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#AUX !---Auxiliary function for PH0
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PH0 !Ideal gas Helmholtz form for cyclopentane of Gedanitz et al. (2015).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Gedanitz, H., Dávila, M.J., and Lemmon, E.W., 2015.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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1 2 4 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)); cosh; sinh
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3.0 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-0.3946233253 0.0 !aj, ti for [ai*tau**ti] terms
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2.4918910143 1.0
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1.34 -0.4494645509 !aj, ti for [ai*log(1-exp(ti*tau)] terms
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13.4 -2.3059485656
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17.4 -4.2992261393
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6.65 -10.1618072383
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--------------------------------------------------------------------------------
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@EOS !---Equation of state---
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FE1 !Helmholtz equation of state for cyclopentane of Gedanitz et al. (2010).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Gedanitz, H., Davila, M.J., Lemmon, E.W.
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? "Speed of Sound Measurements and a Fundamental Equation of State for Cyclopentane,"
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? unpublished equation, 2010.
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?
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!```````````````````````````````````````````````````````````````````````````````
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179.7 !Lower temperature limit [K]
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550. !Upper temperature limit [K]
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250000. !Upper pressure limit [kPa]
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12.11 !Maximum density [mol/L]
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CP1 !Pointer to Cp0 model
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70.1329 !Molar mass [g/mol]
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179.7 !Triple point temperature [K]
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0.008854 !Pressure at triple point [kPa]
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12.1 !Density at triple point [mol/L]
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322.405 !Normal boiling point temperature [K]
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0.201 !Acentric factor
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511.72 4571.2 3.82 !Tc [K], pc [kPa], rhoc [mol/L]
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511.72 3.82 !Reducing parameters [K, mol/L]
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8.314472 !Gas constant [J/mol-K]
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10 4 4 12 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
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0.0536938 1.0 4. 0. !a(i),t(i),d(i),l(i)
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1.60394 0.29 1. 0.
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-2.41244 0.8 1. 0.
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-0.474009 1.14 2. 0.
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0.203482 0.5 3. 0.
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-0.965616 2.0 1. 2.
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-0.344543 1.5 3. 2.
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0.353975 1.0 2. 1.
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-0.231373 3.36 2. 2.
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-0.0379099 0.95 7. 1.
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0.867586 1.0 1. 2. 2. -0.82 -1.15 1.08 0.68 0. 0. 0.
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-0.381827 2.5 1. 2. 2. -1.19 -1.61 0.36 0.97 0. 0. 0.
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-0.108741 2.5 3. 2. 2. -0.79 -0.66 0.09 0.84 0. 0. 0.
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-0.0976984 1.5 3. 2. 2. -1.52 -2.72 1.48 0.66 0. 0. 0.
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@AUX !---Auxiliary function for Cp0
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CP1 !Ideal gas heat capacity function for cyclopentane of Gedanitz et al. (2010).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Gedanitz, H., Davila, M.J., Lemmon, E.W.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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1.0 8.314472 !Reducing parameters for T, Cp0
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1 4 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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1.96 0.0
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3.34 120.0
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18.6 1300.0
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13.9 2700.0
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4.86 5300.0
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@EOS !---Equation of state---
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FE2 !Helmholtz equation of state for cyclopentane.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Lemmon, E.W., unpublished equation, 2008.
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?
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!```````````````````````````````````````````````````````````````````````````````
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179.7 !Lower temperature limit [K]
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600. !Upper temperature limit [K]
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200000. !Upper pressure limit [kPa]
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12.2 !Maximum density [mol/L]
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CP2 !Pointer to Cp0 model
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70.1329 !Molar mass [g/mol]
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179.722 !Triple point temperature [K]
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0.0089 !Pressure at triple point [kPa]
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12.1 !Density at triple point [mol/L]
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322.40 !Normal boiling point temperature [K]
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0.195 !Acentric factor
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511.69 4515.0 3.82 !Tc [K], pc [kPa], rhoc [mol/L]
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511.69 3.82 !Reducing parameters [K, mol/L]
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8.314472 !Gas constant [J/mol-K]
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10 4 4 12 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
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0.04909331 1.0 4. 0. !a(i),t(i),d(i),l(i)
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1.244679 0.23 1. 0.
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-1.990222 0.94 1. 0.
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-0.5245596 1.08 2. 0.
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0.1764215 0.53 3. 0.
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-1.066798 1.67 1. 2.
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-0.5028152 1.80 3. 2.
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0.8484762 1.30 2. 1.
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-0.4547443 2.50 2. 2.
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-0.02767817 1.0 7. 1.
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0.9455318 0.87 1. 2. 2. -1.023 -1.70 1.10 0.713 0. 0. 0.
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-0.3014822 1.40 1. 2. 2. -1.383 -1.55 0.64 0.917 0. 0. 0.
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-0.1675668 2.40 3. 2. 2. -0.996 -1.07 0.50 0.688 0. 0. 0.
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-0.6377070 1.30 3. 2. 2. -7.038 -87.17 1.26 0.748 0. 0. 0.
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@AUX !---Auxiliary function for Cp0
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CP2 !Ideal gas heat capacity function for cyclopentane.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Lemmon, E.W., unpublished equation, 2008.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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1.0 8.314472 !Reducing parameters for T, Cp0
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1 4 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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3.263 0.0
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2.151 179.0
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19.55 1336.0
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14.45 2911.0
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3.594 6420.0
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================================================================================
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#TCX !---Thermal conductivity---
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TC1 !Pure fluid thermal conductivity model for cyclopentane of Vassiliou 2015.
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:DOI: 10.1063/1.4927095
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Vassiliou, C.-M., Assael, M.J., Huber, M.L., and Perkins, R.A.,
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? "Reference Correlatons of the Thermal Conductivity
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? of Cyclopentane, iso-Pentane, and n-Pentane,"
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? J. Phys. Chem. Ref. Data, 44(3), 033102, 2015.
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?
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?Estimated uncertainty in thermal conductivity is 4% for the liquid over
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? 218 K<T<240 K at pressures up to 250 MPa, 3% for the gas, and estimated to be
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? 10% in the supercritical region, except near critical where the uncertainties
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? are larger.
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?
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!```````````````````````````````````````````````````````````````````````````````
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179.7 !Lower temperature limit [K]
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550. !Upper temperature limit [K]
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250000. !Upper pressure limit [kPa]
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12.11 !Maximum density [mol/L]
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4 4 !# terms for dilute gas function: numerator, denominator
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511.72 0.001 !Reducing parameters for T, tcx
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-8.2523346 0. !Coefficient, power in T
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76.336543 1.
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-217.6154 2.
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312.29877 3.
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1.0 0.
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0.28341479 1.
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2.7890541 2.
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0.32645005 3.
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10 0 !# terms for background gas function: numerator, denominator
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511.72 3.92 1. !Reducing parameters for T, rho, tcx
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0.0920536 0. 1. 0.
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-0.172699 0. 2. 0.
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0.126557 0. 3. 0.
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-0.0362296 0. 4. 0.
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0.00388718 0. 5. 0.
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-0.0435129 1. 1. 0.
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0.112636 1. 2. 0.
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-0.0908663 1. 3. 0.
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0.028095 1. 4. 0.
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-0.00280368 1. 5. 0.
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TK3 !Pointer to critical enhancement auxiliary function
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#AUX !---Auxiliary function for the thermal conductivity critical enhancement
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TK3 !Simplified thermal conductivity critical enhancement for cyclopentane of Perkins et al. (2013).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Perkins, R.A., Sengers, J.V., Abdulagatov, I.M., and Huber, M.L.,
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? "Simplified Model for the Critical Thermal-Conductivity Enhancement in Molecular Fluids,"
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? Int. J. Thermophys., 34(2):191-212, 2013. doi: 10.1007/s10765-013-1409-z
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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9 0 0 0 !# terms: terms, spare, spare, spare
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1.0 1.0 1.0 !Reducing parameters for T, rho, tcx [mW/(m-K)]
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0.63 !Nu (universal exponent)
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1.239 !Gamma (universal exponent)
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1.02 !R0 (universal amplitude)
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0.063 !Z (universal exponent--not used for t.c., only viscosity)
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1.0 !C (constant in viscosity eqn = 1/[2 - (alpha + gamma)/(2*nu)], but often set to 1)
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0.216e-9 !Xi0 (amplitude) [m]
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0.058 !Gam0 (amplitude) [-]
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0.624e-9 !Qd_inverse (modified effective cutoff parameter) [m]
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767.58 !Tref (reference temperature) [K]
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++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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@TRN !---ECS Transport---
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ECS !Extended Corresponding States model (Propane reference) for cyclopentane.
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:DOI: 10.6028/NIST.IR.8209
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?
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?```````````````````````````````````````````````````````````````````````````````
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?*** ESTIMATION METHOD *** NOT STANDARD REFERENCE QUALITY ***
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?Huber, M.L., (2018) "Models for the Viscosity, Thermal Conductivity, and
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? Surface Tension of Selected Pure Fluids as Implemented in REFPROP v10.0",
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? NISTIR 8209; doi: 10.6028/NIST.IR.8209
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?
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?THERMAL CONDUCTIVITY
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? Comparisons with liquid data of Assael, M. J., Dalaouti, N. K. "Thermal Conductivity of Toluene+Cyclopentane Mixtures: Measurements and Prediction" Int. J. Thermophys., 2001, 22(3), 659-678
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? indicate an estimated uncertainty of 2 % along the saturation boundary and at pressures to 15 MPa
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?
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?VISCOSITY
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? Comparisons with the liquid data of Assael, M. J., Dalaouti, N. K. "Measurement of the viscosity of cyclopentane from 210 to 310 K and pressures up to 25 MPa" High Temp. - High Pressures, 2000, 32, 179-184
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? indicate an estimated uncertainty of 2-3 % along the saturation boundary and at pressures to 25 MPa
|
|
?
|
|
?The Lennard-Jones parameters were estimated with the method of Chung.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
179.7 !Lower temperature limit [K]
|
|
600.0 !Upper temperature limit [K]
|
|
200000.0 !Upper pressure limit [kPa]
|
|
12.2 !Maximum density [mol/L]
|
|
FEQ PROPANE.FLD
|
|
VS1 !Model for reference fluid viscosity
|
|
TC1 !Model for reference fluid thermal conductivity
|
|
BIG !Large molecule identifier
|
|
0.99 0. 0. 0. !Large molecule parameters
|
|
1 !Lennard-Jones flag (0 or 1) (0 => use estimates)
|
|
0.518 !Lennard-Jones coefficient sigma [nm]
|
|
406.33 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method
|
|
1 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2
|
|
0.00132 0. 0. 0. !Coefficient, power of T, spare1, spare2
|
|
2 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2
|
|
1.04775 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
|
|
-8.02057e-4 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
|
|
2 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2
|
|
1.01979 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
|
|
0.00432795 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
|
|
TK3 !Pointer to critical enhancement auxiliary function
|
|
|
|
|
|
|
|
|
|
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
|
|
|
|
#STN !---Surface tension---
|
|
ST1 !Surface tension model for cyclopentane of Mulero et al. (2014).
|
|
:DOI: 10.1063/1.4878755
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Mulero, A. and Cachadiña, I.,
|
|
? "Recommended Correlations for the Surface Tension of Several Fluids
|
|
? Included in the REFPROP Program,"
|
|
? J. Phys. Chem. Ref. Data, 43, 023104, 2014.
|
|
? doi: 10.1063/1.4878755
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
1 !Number of terms in surface tension model
|
|
511.72 !Critical temperature used in fit (dummy)
|
|
0.07348 1.388 !Sigma0 and n
|
|
|
|
|
|
#PS !---Vapor pressure---
|
|
PS5 !Vapor pressure equation for cyclopentane of Gedanitz et al. (2015).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Functional Form: P=Pc*EXP[SUM(Ni*Theta^ti)*Tc/T] where Theta=1-T/Tc, Tc and Pc
|
|
? are the reducing parameters below, which are followed by rows containing Ni and ti.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
511.72 4582.8 !Reducing parameters
|
|
5 0 0 0 0 0 !Number of terms in equation
|
|
-7.42670 1.0
|
|
3.31721 1.5
|
|
-2.67345 2.0
|
|
-2.72910 4.4
|
|
-3.17337 20.0
|
|
|
|
|
|
#DL !---Saturated liquid density---
|
|
DL1 !Saturated liquid density equation for cyclopentane of Gedanitz et al. (2015).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Functional Form: D=Dc*[1+SUM(Ni*Theta^ti)] where Theta=1-T/Tc, Tc and Dc are
|
|
? the reducing parameters below, which are followed by rows containing Ni and ti.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
511.72 3.92 !Reducing parameters
|
|
5 0 0 0 0 0 !Number of terms in equation
|
|
6.98737 0.55
|
|
-16.8780 0.94
|
|
26.8581 1.35
|
|
-20.6403 1.8
|
|
6.40338 2.35
|
|
|
|
|
|
#DV !---Saturated vapor density---
|
|
DV3 !Saturated vapor density equation for cyclopentane of Gedanitz et al. (2015).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Functional Form: D=Dc*EXP[SUM(Ni*Theta^ti)] where Theta=1-T/Tc, Tc and Dc are
|
|
? the reducing parameters below, which are followed by rows containing Ni and ti.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
511.72 3.92 !Reducing parameters
|
|
5 0 0 0 0 0 !Number of terms in equation
|
|
-4.36877 0.491
|
|
-10.9430 1.9
|
|
-34.8856 4.9
|
|
-63.2191 10.0
|
|
-155.468 20.0
|
|
|
|
|
|
@END
|
|
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