lib.compuestos module

This module implement pure component properties

Componente: The main class with all integrated functionality. Use the properties in database and calculate state properties with the methods chossen in configuration

Liquid density calculation methods:
Liquid viscosity calculation methods:
Gas viscosity calculation methods:
Gas thermal conductivity calculation methods:
Liquid thermal conductivity calculation methods:
Vapor pressure calculation methods:
Surface tension calculation methods:
Acentric factor calculation methods:
Others method:
lib.compuestos.atomic_decomposition(cmp)[source]

Procedure to decompose a molecular string representation in its atomic composition. Support both expanded and short formula

Parameters:
cmpstring

Compound formula

Returns:
kwdict

Dictionary with the atomic decomposition of compound

Examples

>>> kw = atomic_decomposition("CH3")
>>> "%i %i" % (kw["C"], kw["H"])
'1 3'
>>> kw = atomic_decomposition("COO")
>>> "%i %i" % (kw["C"], kw["O"])
'1 2'
>>> kw = atomic_decomposition("CH3COOCl")
>>> "%i %i %i %i" % (kw["C"], kw["H"], kw["O"], kw["Cl"])
'2 3 2 1'
lib.compuestos.refrigerantCode(cmp)[source]
ASHRAE refrigerant code, calculate only the numbers, the letter with

isomers definitions and the inorganic R6x definition are unsupported because there aré very compound specific

Parameters:
cmpstring

Compound expanded formula

Returns:
codestring

ASHRAE refrigerant code

References

[62] ASHRAE; Designation and Safety Classification of Refrigerants. Standard 34-2010

Examples

>>> refrigerantCode("CF3CF=CH2")
'R1234'
lib.compuestos.DIPPR(prop, T, args, Tc=None, M=None)[source]

Procedure to implement the DIPPR equations valid to calculate several physical properties of compounds.

Parameters:
propstring

Property to calculate, any of: rhoS, rhoL, Hv, Pv, cpS, cpL, cpG, muL, muG, kL, kG, sigma

Tfloat

Temperature, [K]

argslist

Coefficients for DIPPR equation, [eq, A, B, C, D, E]

Tcfloat, optional

Critical temperature, [K]

Mfloat, optional

Molecular weight, [g/mol]

Notes

The properties this method can calculate, and the units for the calculated properties are:

  • rhoS: Solid density, [kmol/m³]

  • rhoL: Liquid density, [kmol/m³]

  • Pv: Vapor pressure, [Pa]

  • Hv: Heat of vaporization, [J/kmol]

  • cpS: Solid heat capacity, [J/kmol·K]

  • cpL: Liquid heat capacity, [J/kmol·K]

  • cpG: Ideal gas heat capacity, [J/kmol·K]

  • muL: Liquid viscosity, [Pa·s]

  • muG: Vapor viscosity, [Pa·s]

  • kL: Liquid thermal conductivity, [W/m·K]

  • kG: Vapor thermal conductivity, [W/m·K]

  • sigma: Surface Tension, [N/m]

The first element in args define the equation to use:

  • Eq 1: \(Y = A+BT+CT^2+DT^3+ET^4\)

  • Eq 2: \(Y = exp(A+BT+Cln(T)+DT^E)\)

  • Eq 3: \(Y = A*T^B/(1+CT+DT^2)\)

  • Eq 4: \(Y = A+Bexp(-C/T^D)\)

  • Eq 5: \(Y = A + BT + CT^3 + DT^8 + ET^9\)

  • Eq 6: \(Y = A/(B^(1+(1-T/C)^D)\)

  • Eq 7: \(Y = A*(1-Tr)^(B+CTr+DTr^2+ETr^3)\)

  • Eq 8: \(Y = A+ B*((C/T)/sinh(C/T))^2 + D*((E/T)/cosh(E/T))^2\)

  • Eq 9: \(Y = A^2/Tr+B-2ACTr-ADTr^2-C^2Tr^3/3-CDTr^4/2-D^2Tr^5/5\)

where:

  • T: Temperature, [K]

  • Tr: Reduced temperature T/Tc

  • A,B,C,D,E: Parameters of equation

This parameters are available in the pychemqt database for many compounds Some equation as 7 and 9 need aditional parameter Tc of compound

lib.compuestos.RhoL_Rackett(T, Tc, Pc, Zra, M)[source]
Calculates saturated liquid densities of pure components using the

modified Rackett equation by Spencer-Danner

\[\frac{1}{\rho_s} = \frac{RT_c}{P_c}Z_{RA}^{1+(1-{T/T_c})^{2/7}}\]
Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

Zrafloat

Racket constant, [-]

Mfloat

Molecular weight, [g/mol]

Returns:
rhofloat

Saturated liquid density at T, [kg/m³]

References

[21] Rackett, H.G.; Equation of State for Saturated Liquids. J. Chem. Eng. Data 15(4) (1970) 514-517

[35] Spencer, C.F., Danner, R.P.; Improved Equation for Prediction of Saturated Liquid Density. J. Chem. Eng. Data 17(2) (1972) 236-241

[5] API; Technical Data book: Petroleum Refining 6th Edition.

Examples

Example from 5; propane at 30ºF, API procedure 6A2.13 pag.454

>>> T = unidades.Temperature(30, "F")
>>> Tc = unidades.Temperature(206.06, "F")
>>> Pc = unidades.Pressure(616, "psi")
>>> "%0.3f" % RhoL_Rackett(T, Tc, Pc, 0.2763, 44.1).kgl
'0.531'
lib.compuestos.RhoL_Costald(T, Tc, w, Vc)[source]
Calculates saturated liquid densities of pure components using the

Corresponding STAtes Liquid Density (COSTALD) method, developed by Hankinson and Thomson, referenced too in API procedure 6A2.15 pag. 462

\[\frac{V}{V^{o}}=V_{R}^{(0)}\left(1-\omega_{SRK}V_{R}^{(1)}\right)\]
\[V_{R}^{(0)}=1+a\left(1-T_{R}\right)^{1/3}+b\left(1-T_{R}\right)^{2/3} +c\left(1-T_{R}\right)+d\left(1-T_{R}\right)^{4/3}\]
\[V_{R}^{(1)}=\frac{e+fT_{R}+gT_{R}^{2}+hT_{R}^{3}}{Tr-1.00001}\]
Parameters:
Tfloat

Temperature [K]

Tcfloat

Critical temperature [K]

wfloat

Acentric factor optimized to SRK, [-]

Vcfloat

Characteristic volume, [m³/kg]

Returns:
rhofloat

Saturated liquid density at T, [kg/m³]

References

[20] Hankinson, R.W., Thomson, G.H.; A New Correlation for Saturated Densities of Liquids and Their Mixtures. AIChE Journal 25(4) (1979) 653-663

[5] API; Technical Data book: Petroleum Refining 6th Edition.

Examples

Example 1 from 5; propane at 30ºF

>>> T = unidades.Temperature(30, "F")
>>> Tc = unidades.Temperature(206.01, "F")
>>> Vc = unidades.SpecificVolume(3.205/44.097, "ft3lb")
>>> "%0.3f" % RhoL_Costald(T, Tc, 0.1532, Vc).kgl
'0.530'
lib.compuestos.RhoL_Cavett(T, Tc, M, Vliq)[source]

Calculates saturated liquid densities of pure components using the Cavett equation. Referenced in Chemcad Physical properties user guide

\[\frac{1}{\rho} = V_{liq}\left(5.7+3*T_r\right)\]

Vliq is the liquid volume constant saved in database for many compounds

Parameters:
Tfloat

Temperature [K]

Tcfloat

Critical temperature [K]

Mfloat

Molecular weight, [g/mol]

Vliqfloat

Liquid mole volume constant, [cm³/g]

Returns:
rhofloat

Saturated liquid density at T, [kg/m³]

lib.compuestos.RhoL_YenWoods(T, Tc, Vc, Zc)[source]

Calculates saturation liquid density using the Yen-Woods correlation

\[\rho_s/\rho_c = 1 + A(1-T_r)^{1/3} + B(1-T_r)^{2/3} + D(1-T_r)^{4/3}\]
\[A = 17.4425 - 214.578Z_c + 989.625Z_c^2 - 1522.06Z_c^3\]
\[B = -3.28257 + 13.6377Z_c + 107.4844Z_c^2-384.211Z_c^3 \text{ if } Zc \le 0.26\]
\[B = 60.2091 - 402.063Z_c + 501Z_c^2 + 641Z_c^3 \text{ if } Zc \ge 0.26\]
\[D = 0.93-B\]
Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

Vcfloat

Critical volume, [m^3/mol]

Zcfloat

Critical compressibility factor, [-]

Returns:
rhosfloat

Liquid density, [kg/m³]

References

[26] Yen, L.C., Woods, S.S.; A Generalized Equation for Computer Calculation of Liquid Densities. AIChE Journal 12(1) (1966) 95-99

lib.compuestos.RhoL_YamadaGunn(T, Tc, Pc, w, M)[source]

Calculates saturation liquid volume, using Gunn-Yamada correlation

\[V/V_sc = V_R^{(0)}\left(1-\omega\delta\right)\]
Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

wfloat

Acentric factor, [-]

Mfloat

Molecular weight, [g/mol]

Returns:
rhosfloat

Liquid density, [kg/m³]

Notes

The equation is defined in [27] in volumen terms.

References

[23] Yamada, T., Gunn. R.; Saturated Liquid Molar Volumes: The Rackett Equation. Journal of Chemical Engineering Data 18(2) (1973): 234–236

[27] Gunn, R.D., Yamada, T.; A Corresponding States Correlation of Saturated Liquid Volumes. AIChE Journal 17(6) (1971) 1341-1345

lib.compuestos.RhoL_Bhirud(T, Tc, Pc, w, M)[source]

Calculates saturation liquid density using the Bhirud correlation

\[\ln \frac{P_c V_s}{RT} = \ln U^{(0)} + \omega\ln U^{(1)}\]
\[\ln U^{(0)} = 1.39644 - 24.076T_r + 102.615T_r^2 - 255.719T_r^3 + 355.805T_r^4 - 256.671T_r^5 + 75.1088T_r^6\]
\[\ln U^{(1)} = 13.4412 - 135.7437T_r + 533.380T_r^2 - 1091.453T_r^3 + 1231.43T_r^4 - 728.227T_r^5 + 176.737T_r^6\]
Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

wfloat

Acentric factor, [-]

Mfloat

Molecular weight, [g/mol]

Returns:
rhosfloat

Liquid density, [kg/m³]

Notes

Raise NotImplementedError if Tr is > 1

References

[28] Bhirud, V.L.; Saturated Liquid Densities of Normal Fluids. AIChE Journal 24(6) (1978) 1127-1131

lib.compuestos.RhoL_Mchaweh(T, Tc, Vc, w, delta)[source]

Calculates saturated liquid density using the Mchaweh correlation

\[\rho_s = \rho_c\rho_o\left[1+\delta_{SRK}\left(\alpha_{SRK}-1 \right)^{1/3}\right]\]
\[\rho_o = 1+1.169\tau^{1/3}+1.818\tau^{2/3}-2.658\tau+2.161\tau^{4/3}\]
\[\tau = 1-\frac{(T_r)}{\alpha_{SRK}}\]
\[\alpha_{SRK} = \left[1 + m\left(1-\sqrt{T_r}\right)\right]^2\]
\[m = 0.480 + 1.574\omega - 0.176\omega^2\]
Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

Vcfloat

Critical volume, [m^3/kg]

wfloat

Acentric factor, [-]

deltafloat

Correlation parameter, [-]

Returns:
rhosfloat

Liquid density, [kg/m³]

References

[29] Mchaweh, A., Alsaygh, A., Nasrifar, Kh., Moshfeghian, M.; A Simplified Method for Calculating Saturated Liquid Densities. Fluid Phase Equilibria 224 (2004) 157-167

lib.compuestos.RhoL_Riedel(T, Tc, Vc, w)[source]

Calculates saturation liquid density using the Riedel correlation

\[\rho_s/\rho_c = 1 + 0.85\left(1-T_r\right) + \left(1.6916+0.984\omega\right)\left(1-T_r\right)^{1/3}\]
Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

Vcfloat

Critical volume, [m^3/mol]

wfloat

Acentric factor, [-]

Returns:
rhosfloat

Liquid density, [kg/m³]

References

[32] Riedel, L.; Die Flüssigkeitsdichte im Sättigungszustand. Untersuchungen über eine Erweiterung des Theorems der übereinstimmenden Zustände. Teil II.. Chem. Eng. Tech. 26(5) (1954) 259-264

lib.compuestos.RhoL_ChuehPrausnitz(T, Tc, Vc, w)[source]
Calculates saturation liquid density using the Chueh-Prausnitz

correlation

\[V_s/V_c = V_R^{(0)} + \omega V_R^{(1)} + \omega^2V_R^{(2)}\]
\[V_R^{(i)} = a^{(i)} + b^{(i)}T_R + c^{(i)}T_R^2 + d^{(i)}T_R^3 + e^{(i)}/T_R + f^{(i)}\ln{1-T_R}\]
Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

Vcfloat

Critical volume, [m^3/mol]

wfloat

Acentric factor, [-]

Returns:
rhosfloat

Liquid density, [kg/m³]

References

[33] Rea, H.E., Spencer, C.F., Danner, R.P.; Effect of Pressure and Temperature on the Liquid Densities of Pure Hydrocarbons. J. Chem. Eng. Data 18(2) (1973) 227-230

lib.compuestos.RhoL_TaitCostald(T, P, Tc, Pc, w, Ps, rhos)[source]
Calculates compressed-liquid density, using the Thomson-Brobst-

Hankinson generalization of Tait equation, also referenced in API procedure 6A2.23 pag. 477

\[V = V_s\left(1-C\ln\frac{B + P}{B + P_s}\right)\]
\[\frac{B}{P_c} = -1 + a\tau^{1/3} + b\tau^{2/3} + d\tau + e\tau^{4/3}\]
\[e = \exp(f + g\omega_{SRK} + h \omega_{SRK}^2)\]
\[C = j + k \omega_{SRK}\]
Parameters:
Tfloat

Temperature, [K]

Pfloat

Pressure, [Pa]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

Psfloat

Saturation pressure, [Pa]

wfloat

Acentric factor (SRK optimized), [-]

rhosfloat

Saturation liquid volume, [kg/m^3]

Returns:
rhofloat

High-pressure liquid density, [kg/m^3]

References

[22] Thomson, G.H., Brobst, K.R., Hankinson, R.W.; An Improved Correlation for Densities of Compressed Liquids and Liquid Mixtures. AIChE Journal 28(4) (1982): 671-76

[5] API; Technical Data book: Petroleum Refining 6th Edition.

Examples

Example from 5; n-octane at 212ºF and 4410 psi

>>> T = unidades.Temperature(212, "F")
>>> P = unidades.Pressure(4410, "psi")
>>> Tc = unidades.Temperature(564.22, "F")
>>> Pc = unidades.Pressure(360.6, "psi")
>>> Ps = unidades.Pressure(6.74, "psi")
>>> rs = RhoL_Rackett(T, Tc, Pc, 0.2569, 114.232)
>>> "%0.3f" % (1/rs.lbft3*114.232)
'2.874'
>>> "%0.3f" % RhoL_TaitCostald(T, P, Tc, Pc, 0.3962, Ps, rs).kgl
'0.676'
lib.compuestos.RhoL_ChangZhao(T, P, Tc, Pc, w, Ps, rhos)[source]

Calculates compressed-liquid density, using the Chang-Zhao correlation

\[V = V_s\frac{AP_c + C^{\left(D-T_r\right)^B}\left(P-P_{vp}\right)} {AP_c + C\left(P-P_{vp}\right)}\]
\[A=\sum_{i=0}^{5}a_{i}T_{r}^{i}\]
\[B=\sum_{j=0}^{2}b_{j}\omega^{j}\]
Parameters:
Tfloat

Temperature, [K]

Pfloat

Pressure, [Pa]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

Psfloat

Saturation pressure, [Pa]

wfloat

Acentric factor (SRK optimized), [-]

rhosfloat

Saturation liquid volume, [kg/m^3]

Returns:
rhofloat

High-pressure liquid density, [kg/m^3]

References

[30] Chang, C.H., Zhao, X.M.; A New Generalized Equation for Predicting Volume of Compressed Liquids. Fluid Phase Equilibria, 58 (1990) 231-238

lib.compuestos.RhoL_AaltoKeskinen(T, P, Tc, Pc, w, Ps, rhos)[source]
Calculates compressed-liquid density, using the Aalto-Keskinen

modification of Chang-Zhao correlation

\[V = V_s\frac{AP_c + C^{\left(D-T_r\right)^B}\left(P-P_{vp}\right)} {AP_c + C\left(P-P_{vp}\right)}\]
\[A = a_0 + a_1T_r + a_2T_r^3 + a_3T_r^6 + a_4/T_r\]
\[B = b_0 + \omega_SRKb_1\]
Parameters:
Tfloat

Temperature, [K]

Pfloat

Pressure, [Pa]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

wfloat

Acentric factor (SRK optimized), [-]

Psfloat

Saturation pressure, [Pa]

rhosfloat

Saturation liquid density, [kg/m³]

Returns:
rhofloat

High-pressure liquid density, [kg/m³]

Notes

This correlation improve the Hankinson-Boost-Thomson and Chung-Huang method in the region near to Tc.

References

[31] Aalto, M., Keskinen, K.I., Aittamaa, J., Liukkonen, S.; An Improved Correlation for Compressed Liquid Densities of Hydrocarbons. Part 1. Pure Compounds. Fluid Phase Equilibria 114 (1996) 1-19

[1] Poling, B.E, Prausnitz, J.M, O’Connell, J.P; The Properties of Gases and Liquids 5th Edition. McGraw-Hill, New York, 2001

Examples

Example 4-8 from 1; ammonia at 400bar at 300K and 400K

>>> P = unidades.Pressure(400, "bar")
>>> Pc = unidades.Pressure(113.53, "bar")
>>> Ps1 = unidades.Pressure(10.61, "bar")
>>> rs1 = unidades.Density(1/28.38*17.031, "gcc")
>>> r1 = RhoL_AaltoKeskinen(300, P, 405.4, Pc, 0.256, Ps1, rs1)
>>> Ps2 = unidades.Pressure(102.97, "bar")
>>> rs2 = unidades.Density(1/49.15*17.031, "gcc")
>>> r2 = RhoL_AaltoKeskinen(400, P, 405.4, Pc, 0.256, Ps2, rs2)
>>> "%0.2f %0.2f" % (1/r1.gcc*17.031, 1/r2.gcc*17.031)
'27.19 35.60'

Example 4-9 from 1; m-cresol at 3000bar and 503.15K

>>> P = unidades.Pressure(3000, "bar")
>>> Pc = unidades.Pressure(45.6, "bar")
>>> Ps = unidades.Pressure(1, "bar")
>>> rs = unidades.Density(1/127.31*108.14, "gcc")
>>> r = RhoL_AaltoKeskinen(503.15, P, 705.7, Pc, 0.452, Ps, rs)
>>> "%0.2f" % (1/r.gcc*108.14)
'112.97'
lib.compuestos.RhoL_AaltoKeskinen2(T, P, Tc, Pc, w, Ps, rhos)[source]
Calculates compressed-liquid density, using the Aalto-Keskinen

modification of Chang-Zhao correlation extended to a more high pressure range

\[V = V_s\frac{AP_c + C^{\left(D-T_r\right)^B}\left(P-P_{vp}\right)^E} {AP_c + C\left(P-P_{vp}\right)^E}\]
\[A = a_0 + a_1T_r + a_2T_r^3 + a_3T_r^6 + a_4/T_r\]
\[B = b_0 + \frac{b_1}{b_2+\omega_SRK}\]
\[C = c_1\left(1-T_r\right)^{c_2}+\left(1-\left(1-T_r\right)^{c_2}\right) \exp\left(c_3+c_4\left(P-P_s\right)\right)\]
Parameters:
Tfloat

Temperature, [K]

Pfloat

Pressure, [Pa]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

wfloat

Acentric factor (SRK optimized), [-]

Psfloat

Saturation pressure, [Pa]

rhosfloat

Saturation liquid density, [kg/m³]

Returns:
rhofloat

High-pressure liquid density, [kg/m³]

Notes

This correlation increase the high pressure range of previous Aalto Correlation

References

[37] Aalto, M., Keskinen, K.I.; Liquid Densities at High Pressures. Fluid Phase Equilibria 166 (1999) 183-205

[38] Pal, A., Pope, G., Arai, Y., Carnahan, N., Kobayashi, R.; Experimental Pressure-Volume-Temperature Relations for Saturated and Compressed Fluid Ethane. J. Chem. Eng. Data 21(4) (1976) 394-397

Examples

Selected values from experimental data for ethane used in correlation development, [38]

>>> from lib.mEoS import C2
>>> et = C2()
>>> Ps = et._Vapor_Pressure(293.608)
>>> rhos = et._Liquid_Density(293.608)
>>> args = (293.608, 71.4671e6, C2.Tc, C2.Pc, C2.f_acent, Ps, rhos)
>>> "%0.2f" % RhoL_AaltoKeskinen2(*args).gcc
'0.50'

>>> Ps = et._Vapor_Pressure(281.789)
>>> rhos = et._Liquid_Density(281.789)
>>> args = (281.789, 8.4e6, C2.Tc, C2.Pc, C2.f_acent, Ps, rhos)
>>> "%0.2f" % RhoL_AaltoKeskinen2(*args).gcc
'0.41'
lib.compuestos.RhoL_Nasrifar(T, P, Tc, Pc, w, M, Ps, rhos)[source]

Calculates compressed liquid density using the Nasrifar correlation

\[\frac{v-v_{s}}{v_{\infty}-v_{s}}=C\Psi\]
\[\Psi=\frac{J+L\left(P_{r}-P_{rs}\right)+M\left(P_{r}-P_{rs}\right)^{3}} {F+G\left(P_{r}-P_{rs}\right)+I\left(P_{r}-P_{rs}\right)^{3}}\]
\[J=j_{0}+j_{1}\left(1-T_{r}\right)^{1/3}+j_{2}\left(1-T_{r}\right)^{2/3}\]
\[F=f_{0}\left(1-T_{r}\right)\]
\[C=c_{0}+c_{1}\omega_{SRK}\]
\[v_{\infty}=\varOmega\frac{RT_{c}}{P_{c}}\]
\[\varOmega=\varOmega_{0}+\varOmega_{1}\omega_{SRK}\]
Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

wfloat

Acentric factor, [-]

Mfloat

Molecular weight, [g/mol]

Psfloat

Saturation pressure, [Pa]

rhosfloat

Saturation liquid density, [kg/m^3]

Returns:
rhofloat

Liquid density, [kg/m³]

References

[36] Nasrifar, K., Ayatollahi, S., Moshfeghian, M.; A Compressed Liquid Density Correlation. Fluid Phase Equilibria 168 (2000) 149-163

lib.compuestos.RhoL_API(T, P, Tc, Pc, SG, rhos)[source]
Calculates compressed-liquid density, using the analytical expression

of Lu Chart referenced in API procedure 6A2.22

\[\rho_2 = \rho_1\frac{C_2}{SG}\]
Parameters:
Tfloat

Temperature, [K]

Pfloat

Pressure, [Pa]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

SGfloat

Specific gravity at 60ºF, [-]

rhosfloat

Liquid density at 60ºF, [kg/m^3]

Returns:
rhofloat

High-pressure liquid density, [kg/m^3]

References

[33] Rea, H.E., Spencer, C.F., Danner, R.P.; Effect of Pressure and Temperature on the Liquid Densities of Pure Hydrocarbons. J. Chem. Eng. Data 18(2) (1973) 227-230

[5] API; Technical Data book: Petroleum Refining 6th Edition.

Examples

Example from 5; n-nonane at 220ºF and 1000psi, the API databook use the original Lu Chart so the result don’t have to be exact

>>> T = unidades.Temperature(220, "F")
>>> P = unidades.Pressure(1000, "psi")
>>> Tc = unidades.Temperature(610.7, "F")
>>> Pc = unidades.Pressure(332, "psi")
>>> rs = unidades.Density(44.94, "lbft3")
>>> "%0.1f" % RhoL_API(T, P, Tc, Pc, 1.077, rs).lbft3
'41.7'
lib.compuestos.Pv_Antoine(T, args, Tc=None, base=2.718281828459045, Punit='mmHg')[source]

Vapor Pressure calculation procedure using the Antoine equation

\[\log_{\text{base}} P^{\text{sat}} = A - \frac{B}{T+C}\]

The method implement too the extended Antoine Equation

\[\log_{10} P^{sat} = A - \frac{B}{T + C} + 0.43429x^n + Ex^8 + Fx^{12}\]
\[x = \max \left(\frac{T-t_o-273.15}{T_c}, 0 \right)\]
Parameters:
Tfloat

Temperature of fluid, [K]

argslist

Coefficients for Antoine equation

Tcfloat, optional

Critical temperature, [K]

basefloat, optional

The base of logarithm in equation, default e

Punitstring, optional

Code of pressure unit calculated

Returns:
Pvfloat

Vapor pressure, [Pa]

Notes

The length of args define the method to use, if args has three elements use the original version, if has seven element and define Tc use the advanced method. The coefficient of equation saved in database are for pressure in mmHg and with a exponential dependence. If it defines parameters for a new component it can configure this values, the saved equation will be converted to the appropiate format in database

References

[1] Poling, B.E, Prausnitz, J.M, O’Connell, J.P; The Properties of Gases and Liquids 5th Edition. McGraw-Hill, New York, 2001

[3] Antoine, C.; Tensions des Vapeurs: Nouvelle Relation Entre les Tensions et les Tempé. Compt.Rend. 107:681-684 (1888)

Examples

Example 7-1 in 1, furan at 309.429 K

>>> P = Pv_Antoine(309.429, (4.1199, 1070.2, -44.32), base=10, Punit="bar")
>>> "%0.4f" % P.bar
'1.2108'
lib.compuestos.Pv_Lee_Kesler(T, Tc, Pc, w)[source]

Calculates vapor pressure of a fluid using the Lee-Kesler correlation

The vapor pressure is given by:

\[\ln P_r = f^{(0)} + \omega f^{(1)}\]
\[f^{(0)} = 5.92714-\frac{6.09648}{T_r}-1.28862\ln T_r + 0.169347T_r^6\]
\[f^{(1)} = 15.2518-\frac{15.6875}{T_r} - 13.4721 \ln T_r + 0.43577T_r^6\]
Parameters:
Tfloat

Temperature [K]

Tcfloat

Critical temperature [K]

Pcfloat

Critical pressure [Pa]

wfloat

Acentric factor [-]

Returns:
Pvfloat

Vapor pressure at T [Pa]

References

[4] Lee, B.I., Kesler, M.G.; A Generalized Thermodynamic Correlation Based on Three-Parameter Corresponding States. AIChE Journal 21(3) (1975) 510-527

[2] Ahmed, T.; Equations of State and PVT Analysis: Applications forImproved Reservoir Modeling, 2nd Edition. Gulf Professional Publishing, 2016, ISBN 9780128015704,

Examples

Example 1.2 from 4; propane at 80ºF

>>> T = unidades.Temperature(80, "F")
>>> Tc = unidades.Temperature(666.01, "R")
>>> Pc = unidades.Pressure(616.3, "psi")
>>> "%0.0f" % Pv_Lee_Kesler(T, Tc, Pc, 0.1522).psi
'144'
lib.compuestos.Pv_Wagner(T, args, Tc, Pc)[source]

Calculates vapor pressure of a fluid using the Wagner correlation

\[\ln P^{v}= \ln P_c + \frac{a\tau + b \tau^{1.5} + c\tau^{3} + d\tau^6} {T_r}\]
\[\tau = 1 - \frac{T}{T_c}\]
Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

argslist

Coefficients for equation

Returns:
Pvfloat

Vapor pressure, [Pa]

Notes

Same compound has the parameters of this equations saved in database. This method implement the origintal form of Wagner as in 6, with the parameters from McGarry. API use other same different form.

References

[6] Wagner, W.; New Vapour Pressure Measurements for Argon and Nitrogen and a New Method for Establishing Rational Vapour Pressure Equations. Cryogenics 13, 8 (1973) 470-82

[1] Poling, B.E, Prausnitz, J.M, O’Connell, J.P; The Properties of Gases and Liquids 5th Edition. McGraw-Hill, New York, 2001

[5] API; Technical Data book: Petroleum Refining 6th Edition.

[7] McGarry, J.; Correlation and Perediction of the Vapor Pressures of PureLiquids over Large Pressure Ranges. Ind. Eng. Chem. Process. Des. Dev. 22 (1983) 313-322

lib.compuestos.Pv_AmbroseWalton(T, Tc, Pc, w)[source]
Calculates vapor pressure of a fluid using the Ambrose-Walton

corresponding-states correlation

\[\ln P_r=f^{(0)}+\omega f^{(1)}+\omega^2f^{(2)}\]
\[f^{(0)}=\frac{-5.97616\tau + 1.29874\tau^{1.5}- 0.60394\tau^{2.5} -1.06841\tau^5}{T_r}\]
\[f^{(1)}=\frac{-5.03365\tau + 1.11505\tau^{1.5}- 5.41217\tau^{2.5} -7.46628\tau^5}{T_r}\]
\[f^{(2)}=\frac{-0.64771\tau + 2.41539\tau^{1.5}- 4.26979\tau^{2.5} +3.25259\tau^5}{T_r}\]
\[\tau = 1-T_{r}\]
Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

wfloat

Acentric factor, [-]

Returns:
Pvfloat

Vapor pressure, [Pa]

References

[8] Ambrose, D., Walton, J.; Vapour Pressures up to Their Critical Temperatures of Normal Alkanes and 1-Alkanols. Pure & Appl. Chem. 61(8) 1395-1403 (1989)

[1] Poling, B.E, Prausnitz, J.M, O’Connell, J.P; The Properties of Gases and Liquids 5th Edition. McGraw-Hill, New York, 2001

Examples

Example 7-3 from 2; ethylbenzene at 347.25 K.

>>> "%0.4f" % Pv_AmbroseWalton(347.25, 617.15, 36.09E5, 0.304).bar
'0.1328'
>>> "%0.3f" % Pv_AmbroseWalton(460, 617.15, 36.09E5, 0.304).bar
'3.325'
lib.compuestos.Pv_Riedel(T, Tc, Pc, Tb)[source]
Calculate vapor pressure of a fluid using the Rieel

corresponding-states correlation

\[\ln P_{\text{vp}} = A - \frac{B}{T} + C\ln T + DT^{6}\]
Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

Tbfloat

Normal boiling temperature, [K]

Returns:
Pvfloat

Vapor pressure, [Pa]

References

[1] Poling, B.E, Prausnitz, J.M, O’Connell, J.P; The Properties of Gases and Liquids 5th Edition. McGraw-Hill, New York, 2001

Examples

Example 7-4 from 2; ethylbenzene

>>> "%0.3f" % Pv_Riedel(347.25, 617.15, 36.09E5, 409.36).bar
'0.131'
>>> "%0.2f" % Pv_Riedel(460, 617.15, 36.09E5, 409.36).bar
'3.35'
lib.compuestos.Pv_MaxwellBonnel(T, Tb, Kw)[source]
Calculates vapor pressure of a fluid using the Maxell-Bonnel

correlation as explain in 5, procedure 5A1.18, Pag. 394

Parameters:
Tfloat

Temperature, [K]

Tbfloat

Normal boiling temperature, [K]

Kwfloat

Watson factor, [-]

Returns:
Pvfloat

Vapor pressure, [Pa]

Notes

This method isn’t recomended, only when none of other methods are applicable

References

[5] API; Technical Data book: Petroleum Refining 6th Edition.

Examples

Example in 5, tetralin at 302ºF

>>> T = unidades.Temperature(302, "F")
>>> Tb = unidades.Temperature(405.7, "F")
>>> Pv = Pv_MaxwellBonnel(T, Tb, 9.78)
>>> "%0.1f" % Pv.psi
'3.1'
lib.compuestos.Pv_Sanjari(T, Tc, Pc, w)[source]
Calculates vapor pressure of a fluid using the Sanjari correlation

pressure, and acentric factor.

The vapor pressure of a chemical at T is given by:

\[P_{v} = P_c\exp(f^{(0)} + \omega f^{(1)} + \omega^2f^{(2)})\]
\[f^{(0)} = a_1 + \frac{a_2}{T_r} + a_3\ln T_r + a_4 T_r^{1.9}\]
\[f^{(1)} = a_5 + \frac{a_6}{T_r} + a_7\ln T_r + a_8 T_r^{1.9}\]
\[f^{(2)} = a_9 + \frac{a_{10}}{T_r} + a_{11}\ln T_r + a_{12} T_r^{1.9}\]
Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

wfloat

Acentric factor, [-]

Returns:
Pvfloat

Vapor pressure, [Pa]

Notes

This method have been developed fitting data of refrigerants, be careful when use with other type of compound.

References

[9] Sanjari, E., Honarmand, M., Badihi, H., Ghaheri, A.; An Accurate Generalized Model for Predict Vapor Pressure of Refrigerants. International Journal of Refrigeration 36 (2013) 1327-1332

lib.compuestos.MuL_Parametric(T, args)[source]

Calculates liquid viscosity using a paremtric equation

\[\log\mu = A\left(\frac{1}{T}-\frac{1}{B}\right)\]
Parameters:
Tfloat

Temperature, [K]

argslist

Coefficients for equation

Returns:
mufloat

Liquid viscosity, [Pa·s]

Notes

The parameters for several compound are in database

lib.compuestos.MuL_LetsouStiel(T, M, Tc, Pc, w)[source]

Calculate the viscosity of a liquid using the Letsou-Stiel correlation

\[\mu = (\xi^{(0)} + \omega \xi^{(1)})/\xi\]
Parameters:
Tfloat

Temperature, [K]

Mfloat

Molecular weight, [g/mol]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

wfloat

Acentric factor, [-]

Returns:
mufloat

Viscosity, [Pa·s]

References

[10] Letsou, A., Stiel, L.I.; Viscosity of Saturated Nonpolar Liquids at Elevated Pressures. AIChE Journal 19(2) (1973) 409-411

Examples

Example 9.19 from 1 4Ed; propanol at 433.2K

>>> Vc = 316/92.14/1000
>>> "%0.3f" % MuL_LetsouStiel(433.2, 60.10, 536.8, 51.7e5, 0.623).cP
'0.171'
lib.compuestos.MuL_PrzedzieckiSridhar(T, Tc, Pc, Vc, w, M, Tf, Vr=None, Tv=None)[source]
Calculates the viscosity of a liquid using the Przezdziecki-Sridhar

correlation

\[\frac{1}{\mu} = B \left(\frac{V-V_o}{V_o}\right)\]
\[B = \frac{0.33V_c}{f_1}-1.12\]
\[f_1 = 4.27+0.032M_w-0.077P_c+0.014T_f-3.82\frac{T_f}{T_c}\]
\[V_o = 0.0085T_c\omega-2.02+\frac{V_{m}}{0.342(T_f/T_c)+0.894}\]
Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

Vcfloat

Critical volume, [m³/kg]

wfloat

Acentric factor, [-]

Mfloat

Molecular weight, [g/mol]

Tffloat

Melting point, [K]

Vrfloat, optional

Liquid volume at Tr, [m³/kg]

Tvfloat, optional

Temperature of known volume, [K]

Returns:
mufloat

Viscosity, [Pa·s]

Notes

The refernce volume is a optional volume, it use the critical point as default values

References

[45] Przedziecki, J.W., Sridhar, T.; Prediction of Liquid Viscosities. AIChE Journal 31(2) (1985) 333-335

[1] Poling, B.E, Prausnitz, J.M, O’Connell, J.P; The Properties of Gases and Liquids 5th Edition. McGraw-Hill, New York, 2001

Examples

Example 9.196 from 1; toluene at 383K

>>> Vc = 316/92.14/1000
>>> V = 106.87/92.14/1000
>>> args = (383, 591.75, 41.08e5, Vc, 0.264, 92.14, 178, V, 298.15)
>>> "%0.3f" % MuL_PrzedzieckiSridhar(*args).cP
'0.223'
lib.compuestos.MuL_Lucas(T, P, Tc, Pc, w, Ps, mus)[source]
Calculate the viscosity of liquid at high pressure using the Lucas

correlation

\[\eta\left(T,P\right)=\eta_{S}\left(T\right)F_{p}\left(T_{r},P_{r}, \omega\right)\]
\[F_{p}\left(T_{r},P_{r},\omega\right)=\frac{F_{p}^{ref}\left(T_{r},P_{r} \right)}{1+F_{s}\left(T_{r},\omega\right)\left(P_{r}-P_{sr}\right)}\]
\[F_{p}^{ref}\left(T_{r},P_{r}\right)=1+f_{2}\left(T_{r}\right)\left[ \left(P_{r}-P_{sr}\right)/2.11824066\right]^{f_{1}\left(T_{r}\right)}\]
\[f_{1}\left(T_{r}\right)=0.9990614-\frac{0.00046739}{1.052278T_{r}^ {-0.03876963}-1.05134195}\]
\[f_{2}\left(T_{r}\right)=-0.20863153+\frac{0.32569953}{\left( 1.00383978-T_{r}^{2.57327058}\right)^{0.29063299}}\]
\[f_{s}\left(T_{r},\omega\right)=\omega\left(-0.079206+2.161577T_{r}- 13.403985T_{r}^{2}+44.170595T_{r}^{3}-84.829114T_{r}^{4}+ 96.120856T_{r}^{5}-59.812675T_{r}^{6}+15.671878T_{r}^{7}\right)\]
Parameters:
Tfloat

Temperature, [K]

Pfloat

Pressure, [Pa]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

wfloat

Acentric factor, [-]

Psfloat

Saturation pressure, [Pa]

mus: float

Viscosity of saturated liquid, [Pa·s]

Returns:
mufloat

Viscosity at high pressure, [Pa·s]

References

[46] Lucas, K.; Die Druckabhängigheit der Viskosität von Flüssigkeiten, eine Einfache Abschätzung. Chem. Ing. Tech. 46(4) (1981) 959-960

[1] Poling, B.E, Prausnitz, J.M, O’Connell, J.P; The Properties of Gases and Liquids 5th Edition. McGraw-Hill, New York, 2001

Examples

Example 9.15 from 1, methylcyclohexane at 300K 500 bar

>>> "%0.2f" % MuL_Lucas(300, 500e5, 572.19, 34.7e5, 0.236, 0, 0.00068).cP
'1.07'

Selected value from Table 1 in [46], hydrogen

>>> from lib.mEoS import pH2
>>> y = pH2.younglove
>>> T = 0.904*y["Tc"]
>>> P = 7.71*y["Pc"]*1e3
>>> Ps = pH2()._Vapor_Pressure(T)
>>> "%0.2f" % MuL_Lucas(T, P, y["Tc"], y["Pc"]*1e3, pH2.f_acent, Ps, 1)
'1.00'
lib.compuestos.MuL_API(T, P, Tc, Pc, w, muc)[source]
Calculate the viscosity of liquid at high pressure using the API

correlation, API procedure 11A5.1, pag 1074.

Parameters:
Tfloat

Temperature, [K]

Pfloat

Pressure, [Pa]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

wfloat

Acentric factor, [-]

muc: float

Viscosity of critical point, [Pa·s]

Returns:
mufloat

Viscosity at high pressure, [Pa·s]

Notes

Procedure valid for low-molecular weight hydrocarbons at high pressure. A compound with lower than 20 carbon atoms are valid for this method.

References

[5] API; Technical Data book: Petroleum Refining 6th Edition.

Examples

Example from 5; pentane at 200ºF and 3000 psi The reference has a typo in mur0 calculation, the correct value is 6.20 (not 5.20) and so the calculated viscosity is 0.171 cP, near to the experimental value of 0.166 cP.

>>> T = unidades.Temperature(200, "F")
>>> Tc = unidades.Temperature(385.7, "F")
>>> P = unidades.Pressure(3000, "psi")
>>> Pc = unidades.Pressure(488.8, "psi")
>>> "%0.3f" % MuL_API(T, P, Tc, Pc, 0.2515, 2.55e-5).cP
'0.171'
lib.compuestos.MuL_Kouzel(T, P, muo)[source]
Calculate the viscosity of liquid at high pressure using the API

correlation, API procedure 11A5.5, pag 1081.

Parameters:
Tfloat

Temperature, [K]

Pfloat

Pressure, [Pa]

muo: float

Viscosity of atmospheric pressure, [Pa·s]

Returns:
mufloat

Viscosity at high pressure, [Pa·s]

Notes

Procedure valid for high-molecular weight hydrocarbons at high pressure. A compound with more than 20 carbon atoms are valid for this method.

References

[5] API; Technical Data book: Petroleum Refining 6th Edition.

Examples

Example from 5; lubricating oil at 120.2ºF and 9940 psi

>>> T = unidades.Temperature(120.2, "F")
>>> P = unidades.Pressure(9940, "psi")
>>> "%0.1f" % MuL_Kouzel(T, P, 0.0527).cP
'277.2'
lib.compuestos.MuG_ChapmanEnskog(T, M, sigma, omega)[source]

Calculate the viscosity of a gas using the Chapman-Enskog correlation

\[\mu=\frac{26.69\left(MT\right)^{1/2}}{\sigma^2\Omega_v}\]
Parameters:
Tfloat

Temperature, [K]

Mfloat

Molecular weight, [g/mol]

sigmafloat

hard sphere diameter, [Å]

omegafloat

Collision integral, [-]

Returns:
mufloat

Viscosity of gas, [Pa·s]

References

[1] Poling, B.E, Prausnitz, J.M, O’Connell, J.P; The Properties of Gases and Liquids 5th Edition. McGraw-Hill, New York, 2001

lib.compuestos.MuG_StielThodos(T, Tc, Pc, M)[source]
Calculate the viscosity of a gas using the Stiel-Thodos correlation,

also referenced in API procedure 11B1.3, pag 1099

\[\mu=N/\xi\]
\[\xi=\frac{T_{c}^{1/6}}{M^{1/2}P_{c}^{2/3}}\]
\[N=3.4e^{-4}T_{r}^{0.94} for Tr ≤ 1.5\]
\[N=1.778e^{-4}\left(4.58T_{r}-1.67\right)^{0.625} for T_r > 1.5\]
Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

Mfloat

Molecular weight, [g/mol]

Returns:
mufloat

Viscosity of gas, [Pa·s]

References

[24] Stiel, L.I., Thodos, G.; The Viscosity of Nonpolar Gases at Normal Pressures. AIChE Journal 7(4) (1961) 611-615

[5] API; Technical Data book: Petroleum Refining 6th Edition.

Examples

Example A in 5, Propane at 176ºF

>>> T = unidades.Temperature(176, "F")
>>> Tc = unidades.Temperature(206, "F")
>>> Pc = unidades.Pressure(616, "psi")
>>> "%0.4f" % MuG_StielThodos(T, Tc, Pc, 44.1).cP
'0.0100'

Example B in 5, Methane at 543ºF

>>> T = unidades.Temperature(543, "F")
>>> Tc = unidades.Temperature(-116.67, "F")
>>> Pc = unidades.Pressure(667, "psi")
>>> "%0.4f" % MuG_StielThodos(T, Tc, Pc, 16.04).cP
'0.0176'
lib.compuestos.MuG_Gharagheizi(T, Tc, Pc, M)[source]
Calculates the viscosity of a gas using the Gharagheizi et al.

correlation

\[\mu = 10^{-5} P_cT_r + \left(0.091-\frac{0.477}{M}\right)T + M \left(10^{-5}P_c-\frac{8M^2}{T^2}\right) \left(\frac{10.7639}{T_c}-\frac{4.1929}{T}\right)\]
Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

Mfloat

Molecular weight, [g/mol]

Returns:
mufloat

Viscosity of gas, [Pa·s]

References

[57] Gharagheizi, F., Eslamimanesh, A., Sattari, M., Mohammadi, A.H., Richon, D.; Corresponding States Method for Determination of the Viscosity of Gases at Atmospheric Pressure. I&EC Research 51(7) (2012) 3179-3185

Examples

Methane at 120K

>>> "%0.6e" % MuG_Gharagheizi(120, 190.564, 45.99e5, 16.04246)
'5.215762e-06'

1-Octanol at 120K

>>> "%0.6e" % MuG_Gharagheizi(468.35, 652.5, 27.77e5, 130.22792)
'8.751141e-06'
lib.compuestos.MuG_YoonThodos(T, Tc, Pc, M)[source]

Calculates the viscosity of a gas using an Yoon-Thodos correlation

\[\eta^o\xi = 46.1T_r^{0.618}-20.4\exp(-0.449T_r)+19.4\exp(-4.058T_r)+1\]
Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

Mfloat

Molecular weight, [g/mol]

Returns:
mufloat

Viscosity of gas, [Pa·s]

Notes

This method is valid only for nonpolar gases

References

[56] Yoon, P., Thodos, G.; Viscosity of Nonpolar Gaseous Mixtures at Normal Pressures. AIChE Journal 16(2) (1970) 300-304

lib.compuestos.MuG_Chung(T, Tc, Vc, M, w, D, k=0)[source]

Calculate the viscosity of a gas using the Chung et al. correlation

\[\mu=40.785\frac{F_c\left(MT\right)^{1/2}}{V_c^{2/3}\Omega_v}\]
Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

Mfloat

Molecular weight, [g/mol]

wfloat

Acentric factor, [-]

Dfloat

Dipole moment, [Debye]

kfloat, optional

Corection factor for polar substances, [-]

Returns:
mufloat

Viscosity of gas, [Pa·s]

References

[49] Chung, T.H., Ajlan, M., Lee, L.L., Starling, K.E.; Generalized Multiparameter Correlation for Nonpolar and Polar Fluid Transport Properties. Ind. Eng. Chem. Res. 27(4) (1988) 671-679

[50] Chung, T.H., Lee, L.L., Starling, K.E.; Applications of Kinetic Gas Theories and Multiparameter Correlation for Prediction of Dilute Gas Viscosity and Thermal Conductivity. Ind. Eng. Chem. Fundam. 23(1) (1984) 8-13

[1] Poling, B.E, Prausnitz, J.M, O’Connell, J.P; The Properties of Gases and Liquids 5th Edition. McGraw-Hill, New York, 2001

Examples

Example 9-1 in 1, SO2 at 300ºC

>>> T = unidades.Temperature(300, "C")
>>> "%0.1f" % MuG_Chung(T, 430.8, 122e-3/64.065, 64.065, 0.257, 1.6).microP
'245.5'
lib.compuestos.MuG_P_Chung(T, Tc, Vc, M, w, D, k, rho, muo)[source]

Calculate the viscosity of a compressed gas using the Chung correlation

\[\mu=40.785\frac{F_c\left(MT\right)^{1/2}}{V_c^{2/3}\Omega_v}\]
Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

Vcfloat

Critical volume, [m³/kg]

Mfloat

Molecular weight, [g/mol]

wfloat

Acentric factor, [-]

Dfloat

Dipole moment, [Debye]

kfloat, optional

Corection factor for polar substances, [-]

rhofloat

Density, [kg/m³]

muofloat

Viscosity of low-pressure gas, [Pa·s]

Returns:
mufloat

Viscosity of gas, [Pa·s]

References

[49] Chung, T.H., Ajlan, M., Lee, L.L., Starling, K.E.; Generalized Multiparameter Correlation for Nonpolar and Polar Fluid Transport Properties. Ind. Eng. Chem. Res. 27(4) (1988) 671-679

[50] Chung, T.H., Lee, L.L., Starling, K.E.; Applications of Kinetic Gas Theories and Multiparameter Correlation for Prediction of Dilute Gas Viscosity and Thermal Conductivity. Ind. Eng. Chem. Fundam. 23(1) (1984) 8-13

[1] Poling, B.E, Prausnitz, J.M, O’Connell, J.P; The Properties of Gases and Liquids 5th Edition. McGraw-Hill, New York, 2001

Examples

Example 9-12 in 1, ammonia at 520K and 600bar

>>> Vc = 72.4/17.031/1e3
>>> rho = 1/48.2*17.031*1e3
>>> mu = MuG_P_Chung(520, 405.5, Vc, 17.031, 0.256, 1.47, 0, rho, 182e-7)
>>> "%0.0f" % mu.microP
'455'
lib.compuestos.MuG_Reichenberg(T, P, Tc, Pc, Vc, M, D, muo)[source]
Calculate the viscosity of a compressed gas using the Reichenberg

correlation as explain in 1

\[\frac{\mu}{\mu^o}=1+Q\frac{AP_r^{3/2}}{BP_r+\left(1+CP_r^D\right)^{-1}}\]
Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

Vcfloat

Critical volume, [m³/kg]

Mfloat

Molecular weight, [g/mol]

Dfloat

Dipole moment, [Debye]

muofloat

Viscosity of low-pressure gas, [Pa·s]

Returns:
mufloat

Viscosity of gas, [Pa·s]

References

[1] Poling, B.E, Prausnitz, J.M, O’Connell, J.P; The Properties of Gases and Liquids 5th Edition. McGraw-Hill, New York, 2001

Examples

Example 9-9 in 1, n-pentane at 500K and 101bar

>>> mu = MuG_Reichenberg(500, 101e5, 469.7, 33.7e5, 0, 0, 0, 114e-7)
>>> "%0.0f" % mu.microP
'520'
lib.compuestos.MuG_Lucas(T, P, Tc, Pc, Zc, M, D)[source]
Calculate the viscosity of a gas using the Lucas correlation

as explain in 1. This method can calculate the viscosity at any pressure

Parameters:
Tfloat

Temperature, [K]

Pfloat

Pressure, [Pa]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

Zcfloat

Critical compressibility factor, [-]

Mfloat

Molecular weight, [g/mol]

Dfloat

Dipole moment, [Debye]

Returns:
mufloat

Viscosity of gas, [Pa·s]

References

[1] Poling, B.E, Prausnitz, J.M, O’Connell, J.P; The Properties of Gases and Liquids 5th Edition. McGraw-Hill, New York, 2001

Examples

Example 9-2 in 1, methanol at 550K and 1bar

>>> mu = MuG_Lucas(550, 1e5, 512.64, 80.97e5, 0.224, 32.042, 1.7)
>>> "%0.0f" % mu.microP
'178'

Example 9-10 in 1, ammonia at 420K and 300bar

>>> muo = MuG_Lucas(420, 1e5, 405.5, 113.53e5, 0.244, 17.031, 1.47)
>>> "%0.0f" % muo.microP
'147'
>>> mu = MuG_Lucas(420, 3e7, 405.5, 113.53e5, 0.244, 17.031, 1.47)
>>> "%0.0f" % mu.microP
'603'
lib.compuestos.MuG_Jossi(Tc, Pc, rhoc, M, rho, muo)[source]

Calculate the viscosity of a compressed gas using the Jossi correlation

\[\left[\left(\mu-\mu^o\right)\xi_T+1\right]^{1/4}=1.023+0.23364\rho_r+ 0.58533\rho_r^2-0.40758\rho_r^3+0.093324\rho_r^4\]
Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

rhocfloat

Critical density, [kg/m3]

Mfloat

Molecular weight, [g/mol]

rhofloat

Density, [kg/m3]

muofloat

Viscosity of low-pressure gas, [Pa·s]

Returns:
mufloat

Viscosity of gas, [Pa·s]

Notes

This method is valid only for non polar substances, the paper give alternate equations for hydrogen, water and ammonia but there isn’t a general correlation for polar compounds.

References

[51] Jossi, J.A., Stiel, L.I., Thodos, G.; The Viscosity of Pure Substances in the Dense Gaseous and Liquid Phases. AIChE Journal 8(1) (1962) 59-63

Examples

Example 9-11 in 1, isobutane at 500K and 100bar

>>> rhoc = 1/262.7*58.123*1000
>>> rho = 1/243.8*58.123*1000
>>> "%0.0f" % MuG_Jossi(407.85, 36.4e5, rhoc, 58.123, rho, 120e-7).microP
'275'
lib.compuestos.MuG_P_StielThodos(Tc, Pc, rhoc, M, rho, muo)[source]
Calculate the viscosity of a compressed gas using the Stiel-Thodos

correlation. This method is valid for polar substances.

\[\left(\mu-\mu^o\right)\xi=1.656\rho_r^{1.111}, \rho_r ≤ 0.1\]
\[\left(\mu-\mu^o\right)\xi=0.0607\left(9.045\rho_r+0.63\right)^{1.739}, 0.1 ≤ \rho_r ≤ 0.9\]
\[log\left[4-log\left(\left(\mu-\mu^o\right)\xi\right)\right]= 0.6439-0.1005\rho_r-\Delta, 0.9 ≤ \rho_r ≤2.6\]
Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

rhocfloat

Critical density, [kg/m3]

Mfloat

Molecular weight, [g/mol]

rhofloat

Density, [kg/m3]

muofloat

Viscosity of low-pressure gas, [Pa·s]

Returns:
mufloat

Viscosity of gas, [Pa·s]

References

[52] Stiel, L.I., Thodos, G.; The Viscosity of Polar Substances in the Dense Gaseous and Liquid Regions. AIChE Journal 10(2) (1964) 275-277

lib.compuestos.MuG_TRAPP(T, Tc, Vc, Zc, M, w, rho, muo)[source]
Calculate the viscosity of a compressed gas using the TRAPP (TRAnsport

Property Prediction) method.

Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

Zcfloat

Critical pressure, [Pa]

rhocfloat

Critical density, [kg/m3]

Mfloat

Molecular weight, [g/mol]

rhofloat

Density, [kg/m3]

muofloat

Viscosity of low-pressure gas, [Pa·s]

Returns:
mufloat

Viscosity of gas, [Pa·s]

References

[1] Poling, B.E, Prausnitz, J.M, O’Connell, J.P; The Properties of Gases and Liquids 5th Edition. McGraw-Hill, New York, 2001

[61] Ely, J.F., Hanley, H.J.M.; A Computer Program for the Prediction of Viscosity and Thermal Condcutivity in Hydrocarbon Mixtures. NBS Technical Note 1039 (1981)

[53] Younglove, B.A., Ely, J.F.; Thermophysical Properties of Fluids. II. Methane, Ethane, Propane, Isobutane, and Normal Butane. J. Phys. Chem. Ref. Data 16(4) (1987) 577-798

Examples

Example 9-13 in 1, isobutane at 500K and 100bar

>>> Vc = 259/58.124/1000
>>> rho = 1/243.8*58.123*1000
>>> mu = MuG_TRAPP(500, 407.85, Vc, 0.278, 58.124, 0.186, rho, 120e-7)
>>> "%0.0f" % mu.microP
'267'
lib.compuestos.MuG_Brule(T, Tc, Vc, M, w, rho, muo)[source]

Calculate the viscosity of a compressed gas using the Chung correlation

\[\mu=40.785\frac{F_c\left(MT\right)^{1/2}}{V_c^{2/3}\Omega_v}\]
Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

Vcfloat

Critical volume, [m³/kg]

Mfloat

Molecular weight, [g/mol]

wfloat

Acentric factor, [-]

rhofloat

Density, [kg/m³]

muofloat

Viscosity of low-pressure gas, [Pa·s]

Returns:
mufloat

Viscosity of gas, [Pa·s]

References

[54] Brulé, M.R., Starling, K.E.; Thermophysical Properties of Complex Systems: Applications of Multiproperty Analysis. Ind. Eng. Chem. Process Dev. 23 (1984) 833-845

lib.compuestos.MuG_DeanStiel(Tc, Pc, rhoc, M, rho, muo)[source]
Calculate the viscosity of a compressed gas using the Dean-Stiel

correlation, also referenced in API databook Procedure 11B4.1, pag 1107

\[\left(\mu-\mu_o\right)\xi=10.8x10^{-5}\left[exp\left(1.439\rho_r\right) -exp\left(-1.11\rho_r^{1.858}\right)\right]\]
Parameters:
Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

rhocfloat

Critical density, [kg/m³]

Mfloat

Molecular weight, [g/mol]

rhofloat

Density, [kg/m³]

muofloat

Viscosity of low-pressure gas, [Pa·s]

Returns:
mufloat

Viscosity of gas, [Pa·s]

References

[55] Dean, D.E., Stiel, L.I.; The Viscosity of Nonpolar Gas Mixtures at Moderate and High Pressures. AIChE Journal 11(3) (1965) 526-532

[5] API; Technical Data book: Petroleum Refining 6th Edition.

Examples

Example in 5, mixture at 1500psi and 257ºF

>>> Tc = unidades.Temperature(472.09, "R")
>>> Pc = unidades.Pressure(646.68, "psi")
>>> "%0.4f" % MuG_DeanStiel(Tc, Pc, 1, 27.264, 0.5283, 123e-7).cP
'0.0163'
lib.compuestos.MuG_API(T, P, Tc, Pc, muo)[source]
Calculate the viscosity of nonhydrocarbon gases at high pressure using

the linearization of Carr figure as give in API Databook procedure 11C1.2, pag 1113

\[\frac{\mu}{\mu_o}=A_1hP_r^f + A_2\left(kP_r^l+mP_r^n+pP_r^q\right)\]
Parameters:
Tfloat

Temperature, [K]

Pfloat

Pressure, [Pa]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

muofloat

Viscosity of low-pressure gas, [Pa·s]

Returns:
mufloat

Viscosity of gas, [Pa·s]

Notes

This method is recomended for gaseous nonhydrocarbons at high pressure, although this method is also applicable for hydrocarbons.

References

[5] API; Technical Data book: Petroleum Refining 6th Edition.

Examples

Example in 5, nitrogen at -58ºF and 1677psi

>>> T = unidades.Temperature(-58, "F")
>>> Tc = unidades.Temperature(-232.5, "F")
>>> P = unidades.Pressure(1677, "psi")
>>> Pc = unidades.Pressure(493.1, "psi")
>>> "%0.4f" % MuG_API(T, P, Tc, Pc, 1.44e-5).cP
'0.0203'
lib.compuestos.ThL_RiaziFaghri(T, Tb, SG)[source]
Calculates thermal conductivity of liquid hydrocarbon at low pressure

using the Riazi-Faghri correlation.

\[\kappa = aT_{b}^{b}SG^{c}\]
\[a = \exp\left(-4.5093-0.6844t-0.1305t^{2}\right)\]
\[b = 0.3003+0.0918t+0.0195t^{2}\]
\[c = 0.0129+0.0894t+0.0292t^{2}\]

where t = T(F)/100

Parameters:
Tfloat

Temperature, [K]

Tbfloat

Normal boiling temperature, [K]

SGfloat

Specific gravity, [-]

Returns:
kfloat

Thermal conductivity, [Btu/hftºF]

Notes

Range of validity:

0ºF ≤ T ≤ 300ºF

References

[11] Riazi, M.R., Faghri, A.; Thermal Conductivity of Liquid and Vapor Hydrocarbon Systems: Pentanes and Heavier at Low Pressures. Ind. Eng. Chem. Process Des. Dev. 24 (1985) 398-401

lib.compuestos.ThL_Gharagheizi(T, Pc, Tb, M, w)[source]
Calculates the thermal conductivity of liquid using the Gharagheizi

correlation.

\[\kappa = 10^{-4}\left(10\omega+2P_c-2T+4+1.908\left(T_b+\frac{1.009B^2} {M^2}\right)+\frac{3.9287M^4}{B^4}+\frac{A}{B^8}\right)\]
\[A = 3.8588M^8\left(1.0045B+6.5152M-8.9756\right)\]
\[B = 16.0407M+2T_b-27.9074\]
Parameters:
Tfloat

Temperature, [K]

Pcfloat

Critical pressure, [Pa]

Tbfloat

Normal boiling temperature, [K]

Mfloat

Molecular weight, [g/mol]

wfloat

Acentric factor, [-]

Returns:
kfloat

Thermal conductivity [W/m·k]

References

[12] Gharagheizi, F., Ilani-Kashkouli, P., Sattari, M., Mohammadi, A.H., Ramjugernath, D., Richon, D.; Development of a General Model for Determination of Thermal Conductivity of Liquid Chemical Compounds at Atmospheric Pressure. AIChE Journal 59 (2013) 1702-1708

lib.compuestos.ThL_LakshmiPrasad(T, M)[source]
Calculates the thermal conductivity of liquid using the Lakshmi-Prasad

correlation.

\[\lambda = 0.0655-0.0005T + \frac{1.3855-0.00197T}{M^{0.5}}\]
Parameters:
Tfloat

Temperature, [K]

Mfloat

Molecular weight, [g/mol]

Returns:
kfloat

Thermal conductivity, [W/m·K]

References

[13] Lakshmi, D.S., Prasad, D.H.L.; A Rapid Estimation Method for Thermal Conductivity of Pure Liquids. The Chemical Engineering Journal 48 (1992) 211-14

lib.compuestos.ThL_Nicola(T, M, Tc, Pc, w, mu=None)[source]
Calculates the thermal conductivity of liquid using the Nicola

correlation.

\[\frac{\lambda}{\lambda_o} = aT_r + bPc + c\omega + \left(\frac{e}{M}\right)^{d}\]
\[\frac{\lambda}{\lambda_o} = aT_r + bPc + c\omega + \left(\frac{e}{M}\right)^{d} + f\mu\]
Parameters:
Tfloat

Temperature, [K]

Mfloat

Molecular weight, [g/mol]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

wfloat

Acentric factor, [-]

mufloat

Dipole moment, [Debye]

Returns:
kfloat

Thermal conductivity [W/m·k]

References

[14] Di Nicola, G., Ciarrocchi, E., Coccia, G., Pierantozzi, M.; Correlations of Thermal Conductivity for Liquid Refrigerants at Atmospheric Pressure or near Saturation. International Journal of Refrigeration, 2014

lib.compuestos.ThL_SatoRiedel(T, Tc, M, Tb)[source]
Calculate the thermal conductivity of a liquid using the Sato-Riedel

correlation, as explain in [1].

\[k = \frac{1.1053152}{\sqrt{MW}}\frac{3+20(1-T_r)^{2/3}} {3+20(1-T_{br})^{2/3}}\]
Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

Mfloat

Molecular weight, [g/mol]

Tbfloat

Boiling temperature, [K]

Returns:
kfloat

Liquid thermal conductivity, [W/m·k]

References

[1] Poling, B.E, Prausnitz, J.M, O’Connell, J.P; The Properties of Gases and Liquids 5th Edition. McGraw-Hill, New York, 2001

Examples

Example 10-10 from 1 (4th Edition); CCl4 at 293K

>>> "%0.3f" % ThL_SatoRiedel(293, 556.4, 153.823, 349.9)
'0.101'
lib.compuestos.ThL_Pachaiyappan(T, Tc, M, rho, branched=True)[source]
Calculates the thermal conductivity of liquid using the Pachaiyappan

correlation as explain in 5, procedure 12A1.2, pag 1141

\[\kappa=\frac{CM^{n}}{Vm}\frac{3+20\left(1-Tr\right){}^{2/3}} {3+20\left(1-\frac{527.67}{Tc}\right)^{2/3}}\]
Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

Mfloat

Molecular weight, [g/mol]

rhofloat

Density of commpound at 68ºF, []

branchedboolean, optional

Linear or branched compound, default True

Returns:
kfloat

Thermal conductivity [W/m·k]

References

[15] Pachaiyappan, V., Ibrahim, S.H., Kuloor, N.R.; Thermal Conductivities of Organic Liquids: A New Correlation. J. Chem. Eng. Data, 11 (1966) 73-76

[5] API; Technical Data book: Petroleum Refining 6th Edition.

Examples

Example in 5, n-butylbenzene at 140ºF

>>> T = unidades.Temperature(140, "F")
>>> Tc = unidades.Temperature(729.32, "F")
>>> rho = unidades.Density(53.76, "lbft3")
>>> k = ThL_Pachaiyappan(T, Tc, 134.22, rho)
>>> "%0.4f" % k.BtuhftF
'0.0673'
lib.compuestos.ThL_KanitkarThodos(T, P, Tc, Pc, Vc, M, rho)[source]
Calculates the thermal conductivity of liquid using the Kanitkar-Thodos

correlation as explain in 5, procedure 12A1.3, pag 1143

\[\kappa\lambda = -1.884e-6P_r^2 + 1.442e-3P_r + \alpha\exp\left(\beta\rho_r\right)\]
\[\alpha = \frac{7.137e-3}{\beta^{3.322}}\]
\[\beta = 0.4 + \frac{0.986}{\exp{0.58\lambda}}\]
\[\lambda = \frac{Tc^{1/6}M^{1/2}}{Pc}^{2/3}\]
Parameters:
Tfloat

Temperature, [K]

Pfloat

Pressure, [Pa]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

Vcfloat

Critical specific volume, [m³/kg]

Mfloat

Molecular weight, [g/mol]

rhofloat

Density of commpound at P and T, [kg/m³]

Returns:
kfloat

Thermal conductivity [W/m·k]

Notes

This method let calculate the thermal conductivity of liquid hydrocarbons at any pressure

References

[16] Kanitkar, D., Thodos, G.; The Thermal Conductivity of Liquid Hydrocarbons. Can. J. Chem. Eng. 47 (1969) 427-430

[5] API; Technical Data book: Petroleum Refining 6th Edition.

Examples

Example in 5, n-heptane at 320ºF and 197.4 atm

>>> T = unidades.Temperature(320, "F")
>>> P = unidades.Pressure(197.4, "atm")
>>> Tc = unidades.Temperature(512.69, "F")
>>> Pc = unidades.Pressure(397.41, "psi")
>>> Vc = unidades.SpecificVolume(0.0684, "ft3lb")
>>> rho = unidades.Density(37.93, "lbft3")
>>> k = ThL_KanitkarThodos(T, P, Tc, Pc, Vc, 100.2, rho)
>>> "%0.5f" % k.BtuhftF
'0.06957'
lib.compuestos.ThL_Lenoir(T, P, Tc, Pc, ko, To=None, Po=None)[source]
Calculates the thermal conductivity of liquid using the Lenoir

correlation as explain in 5, procedure 12A4.1, pag 1156

\[k_2 = k_1\frac{C_2}{C_1}\]
\[C = 17.77+0.065*P_r-7.764*T_r-\frac{2.065T_r^2}{exp(0.2P_r}\]
Parameters:
Tfloat

Temperature, [K]

Pfloat

Pressure, [Pa]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

kofloat

Reference thermal conductivity [W/m·k]

Tofloat, optional

Temperature with known thermal conductivity, default T, [K]

Pofloat, optional

Pressure with known thermal conductivity, default 101325, [Pa]

Returns:
kfloat

Thermal conductivity [W/m·k]

Notes

Raise NotImplementedError if input pair isn’t in limit:

  • 0.4 ≤ Tr ≤ 0.8

  • P ≥ 500 psi

References

[59] Lenoir, J.M.; Effect of Pressure on Thermal Conductivity of Liquids. Petroelum Refiner 36(8) 1508

[1] Poling, B.E, Prausnitz, J.M, O’Connell, J.P; The Properties of Gases and Liquids 5th Edition. McGraw-Hill, New York, 2001

[5] API; Technical Data book: Petroleum Refining 6th Edition.

Examples

Example in 5, toluene at 87.5ºF and 22.044psi

>>> T = unidades.Temperature(87.5, "F")
>>> P = unidades.Pressure(22044, "psi")
>>> Tc = unidades.Temperature(1065.22, "R")
>>> Pc = unidades.Pressure(595.9, "psi")
>>> Pref = unidades.Pressure(14.696, "psi")
>>> ko = unidades.ThermalConductivity(0.07425, "BtuhftF")
>>> k = ThL_Lenoir(T, P, Tc, Pc, ko, T, Pref)
>>> "%0.5f" % k.BtuhftF
'0.09074'

Example 10-12 in 1, NO2 at 311K and 276bar

>>> "%0.2f" % ThL_Lenoir(311, 276e5, 431.35, 101.33e5, 0.124, 311, 2.1e5)
'0.13'
lib.compuestos.ThL_Missenard(T, P, Tc, Pc, ko)[source]
Calculates the thermal conductivity of liquid using the Missenard

correlation, as explain in 1

\[\frac{\lambda}{\lambda_o} = 1+QP_r^{0.7}\]
Parameters:
Tfloat

Temperature, [K]

Pfloat

Pressure, [Pa]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

kofloat

Thermal conductivity at low pressure, [W/m·k]

Returns:
kfloat

Thermal conductivity, [W/m/K]

Notes

Raise NotImplementedError if input pair isn’t in limit:

  • 0.5 ≤ Tr ≤ 0.8

  • 1 ≤ Pr ≤ 200

References

[1] Poling, B.E, Prausnitz, J.M, O’Connell, J.P; The Properties of Gases and Liquids 5th Edition. McGraw-Hill, New York, 2001

Examples

Example 10-13 from 1; toluene at 6330bar and 304K

>>> "%0.3f" % ThL_Missenard(304, 6330e5, 591.75, 41.08e5, 0.129)
'0.220'
lib.compuestos.ThG_MisicThodos(T, Tc, Pc, M, Cp)[source]
Calculates thermal conductivity of gas hydrocarbon at low pressure

using the Misic-Thodos correlation, also referenced in API Procedure 12B1.2 pag.1162

\[\kappa = 1.188e^{-3}\frac{T_rC_p}{\lambda} for Tr ≤ 1\]
\[\kappa = 2.67e^{-4}\left(14.52T_r-5.14\right)^{2/3} \frac{C_p}{\lambda} for Tr ≤ 1\]
\[\lambda=\frac{T_{c}^{1/6}}{M^{1/2}P_{c}^{2/3}}\]
Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

Mfloat

Molecular weight, [g/mol]

Cpfloat

Isobaric heat capacity, [cal/gK]

Returns:
kfloat

Thermal conductivity, [cal/scmK]

Notes

Range of validity:

P ≤ 50 psi

References

[25] Misic, D., Thodos, G.; The Thermal Conductivity of Hydrocarbon Gases at Normal Pressures. AIChE Journal 7(2) (1961) 264-267

[5] API; Technical Data book: Petroleum Refining 6th Edition.

Examples

Example in 5, 2-methylbutane at 212ºF and 1 atm

>>> T = unidades.Temperature(212, "F")
>>> Tc = unidades.Temperature(369.1, "F")
>>> Pc = unidades.Pressure(498.38, "psi")
>>> cp = unidades.SpecificHeat(34.49/72.15, "BtulbF")
>>> "%0.3f" % ThG_MisicThodos(T, Tc, Pc, 72.15, cp).BtuhftF
'0.013'
lib.compuestos.ThG_RiaziFaghri(T, Tb, SG)[source]
Calculates thermal conductivity of gas hydrocarbon at low pressure

using the Riazi-Faghri correlation.

\[\kappa = aT_{b}^{b}SG^{c}\]
\[a = \exp\left(-4.5093-0.6844t-0.1305t^{2}\right)\]
\[b = 0.3003+0.0918t+0.0195t^{2}\]
\[c = 0.0129+0.0894t+0.0292t^{2}\]

where t = T(F)/100

Parameters:
Tfloat

Temperature, [K]

Tbfloat

Normal boiling temperature, [K]

SGfloat

Specific gravity, [-]

Returns:
kfloat

Thermal conductivity, [Btu/hftºF]

Notes

Range of validity:

  • 150ºF ≤ T ≤ 550ºF

  • 0.65 ≤ SG ≤ 0.9

References

[11] Riazi, M.R., Faghri, A.; Thermal Conductivity of Liquid and Vapor Hydrocarbon Systems: Pentanes and Heavier at Low Pressures. Ind. Eng. Chem. Process Des. Dev. 24 (1985) 398-401

lib.compuestos.ThG_Eucken(M, Cv, mu)[source]
Calculates thermal conductivity of gas al low pressure using the Eucken

correlation as explain in 1

\[\frac{\lambda M}{\eta C_v} = 1 + \frac{9/4}{C_v/R}\]
Parameters:
Mfloat

Molecular weight, [g/mol]

Cvfloat

Ideal gas heat capacity at constant volume, [J/kg·K]

mufloat

Gas viscosity [Pa·s]

Returns:
kfloat

Thermal conductivity, [W/m·K]

References

[1] Poling, B.E, Prausnitz, J.M, O’Connell, J.P; The Properties of Gases and Liquids 5th Edition. McGraw-Hill, New York, 2001

Examples

Example 10-1 from 1; 2-methylbutane at 100ºC and 1bar

>>> cv_mass = 135.8/72.151*1000
>>> "%0.4f" % ThG_Eucken(72.151, cv_mass, 8.72e-6)
'0.0187'
lib.compuestos.ThG_EuckenMod(M, Cv, mu)[source]
Calculates thermal conductivity of gas al low pressure using the

modified Eucken correlation as explain in 1

\[\frac{\lambda M}{\eta C_v} = 1.32 + \frac{1.77}{C_v/R}\]
Parameters:
Mfloat

Molecular weight, [g/mol]

Cvfloat

Ideal gas heat capacity at constant volume, [J/kg·K]

mufloat

Gas viscosity [Pa·s]

Returns:
kfloat

Thermal conductivity, [W/m/K]

References

[1] Poling, B.E, Prausnitz, J.M, O’Connell, J.P; The Properties of Gases and Liquids 5th Edition. McGraw-Hill, New York, 2001

Examples

Example 10-1 from 1; 2-methylbutane at 100ºC and 1bar

>>> "%0.4f" % ThG_EuckenMod(72.151, 135.8/72.151*1000, 8.72e-6)
'0.0234'
lib.compuestos.ThG_Chung(T, Tc, M, w, Cv, mu)[source]
Calculate thermal conductivity of gas at low pressure using the Chung

correlation

\[\lambda_o = \frac{7.452\mu_o\Psi}{M}\]
\[\Psi = 1 + \alpha \left\{[0.215+0.28288\alpha-1.061\beta+0.26665Z]/ [0.6366+\beta Z + 1.061 \alpha \beta]\right\}\]
\[\alpha = \frac{C_v}{R}-1.5\]
\[\beta = 0.7862-0.7109\omega + 1.3168\omega^2\]
\[Z=2+10.5T_r^2\]
Parameters:
Tfloat

Temperature, [K]

Mfloat

Molecular weight, [g/mol]

Tcfloat

Critical temperature, [K]

wfloat

Acentric factor, [-]

Cvfloat

Ideal gas heat capacity at constant volume, [J/kg·K]

mufloat

Gas viscosity [Pa·s]

Returns:
kfloat

Thermal conductivity, [W/m·K]

References

[49] Chung, T.H., Ajlan, M., Lee, L.L., Starling, K.E.; Generalized Multiparameter Correlation for Nonpolar and Polar Fluid Transport Properties. Ind. Eng. Chem. Res. 27(4) (1988) 671-679

[1] Poling, B.E, Prausnitz, J.M, O’Connell, J.P; The Properties of Gases and Liquids 5th Edition. McGraw-Hill, New York, 2001

Examples

Example 10-1 from 1; 2-methylbutane at 100ºC and 1bar

>>> cv_mass = 135.8/72.151*1000
>>> "%0.4f" % ThG_Chung(373.15, 460.39, 72.151, 0.272, cv_mass, 8.72e-6)
'0.0229'
lib.compuestos.ThG_NonHydrocarbon(T, P, id)[source]
Calculates thermal conductivity of selected nonhydrocarbon, referenced

in API procedure 12C1.1, pag 1174

\[\kappa = A + BT + CT^2 + DP + E\frac{P}{T^{1.2}} + \frac{F}{ \left(0.4P-0.001T\right)^{0.015}} + G\ln{P}\]
Parameters:
Tfloat

Temperature, [K]

Pfloat

Pressure, [Pa]

idint

Index of compound in database

Returns:
kfloat

Thermal conductivity, [Btu/hftºF]

Notes

This method calculate the thermal conductivity of selected nonhydrocarbon gases, the available compounds are:

  • 1 - Hydrogen

  • 46 - Nitrogen

  • 47 - Oxygen

  • 48 - Carbon Monoxide

  • 50 - Hydrogen Sulfide

  • 51 - Sulfur dioxide

  • 111 - Sulfur trioxide

The range of validity of relation depends of compounds, it’s checked in procedure and raise a NotImplementedError when inputs are out of bound or the id of compound isn’t supported:

  • N2, CO - 150ºR ≤ T ≤ 2460ºR, 15psi ≤ P ≤ 10000psi

  • O2 - 150ºR ≤ T ≤ 2460ºR, 15psi ≤ P ≤ 15000psi

  • H2 - 260ºR ≤ T ≤ 2260ºR, 15psi ≤ P ≤ 10000psi

  • SO2 - 960ºR ≤ T ≤ 2460ºR, 15psi ≤ P ≤ 10000psi

  • H2S, SO3 - 460ºR ≤ T ≤ 2460ºR, P atmospheric

References

[5] API; Technical Data book: Petroleum Refining 6th Edition.

Examples

Example from 5; oxygen at 984.67ºR and 6075psi

>>> T = unidades.Temperature(984.67, "R")
>>> P = unidades.Pressure(6075, "psi")
>>> "%0.5f" % ThG_NonHydrocarbon(T, P, 47).BtuhftF
'0.03265'
lib.compuestos.ThG_StielThodos(T, Tc, Pc, Vc, M, V, ko)[source]
Calculate thermal conductivity of compressed gases using the

Stiel-Thodos correlation.

Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

Vcfloat

Critical specific volume, [m³/kg]

Mfloat

Molecular weight, [g/mol]

Vmfloat

Volume at T and P [m³/kg]

kgfloat

Low-pressure gas thermal conductivity [W/m·K]

Returns:
kofloat

High-pressure gas thermal conductivity [W/m·K]

References

[58] Stiel, L.I., Thodos, G.; The Thermal Conductivity of Nonpolar Substances in the Dense Gaseous and Liquid Regions. AIChE Journal 10(1) (1964) 26-30

[1] Poling, B.E, Prausnitz, J.M, O’Connell, J.P; The Properties of Gases and Liquids 5th Edition. McGraw-Hill, New York, 2001

Examples

Example 10-3 from 1; nitrous oxide at 105ºC and 138bar

>>> T = unidades.Temperature(105, "C")
>>> Vc = 97/44.013/1000
>>> V = 144/44.013/1000
>>> "%0.4f" % ThG_StielThodos(T, 309.6, 72.55e5, Vc, 44.013, V, 0.0234)
'0.0414'
lib.compuestos.ThG_P_Chung(T, Tc, Vc, M, w, D, k, rho, ko)[source]
Calculate the thermal conductivity of a compressed gas using the Chung

correlation

\[\lambda = \frac{31.2 \eta^o\Psi}{M}(1/G_2+B_6y)+qB_7y^2T_r^{1/2}G_2\]
\[y = \frac{\rho V_c}{6}\]
\[G_1 = \frac{1-0.5y}{\left(1-y\right)^3\]
\[G_2 = \frac{E_1\left(\left(1-\exp\left(-E_4y\right)\right)/y\right) + E_2G_1\expE_5y + E_3G_1}{E_1E_4+E_2+E_3}\]
\[\mu^{**} = E_7y^2G_2\exp(E_8+\frac{E_9}{T^*}+\frac{E_{10}}{T^*^2}\]
Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

Vcfloat

Critical volume of the gas [m^3/mol]

Mfloat

Molecular weight, [g/mol]

wfloat

Acentric factor, [-]

Dfloat

Dipole moment, [Debye]

kfloat, optional

Corection factor for polar substances, [-]

rhofloat

Density, [kg/m³]

kofloat

Low-pressure gas thermal conductivity[Pa*S]

Returns:
kfloat

High-pressure gas thermal conductivity [W/m·K]

References

[49] Chung, T.H., Ajlan, M., Lee, L.L., Starling, K.E.; Generalized Multiparameter Correlation for Nonpolar and Polar Fluid Transport Properties. Ind. Eng. Chem. Res. 27(4) (1988) 671-679

[1] Poling, B.E, Prausnitz, J.M, O’Connell, J.P; The Properties of Gases and Liquids 5th Edition. McGraw-Hill, New York, 2001

Examples

Example 10-4 in 1, propylene at 473K and 150bar

>>> Vc = 184.6/42.081/1e3
>>> rho = 1/172.1*42.081*1e3
>>> th = ThG_P_Chung(473, 364.9, Vc, 42.081, 0.142, 0.4, 0, rho, 0.0389)
>>> "%0.3f" % th
'0.062'
lib.compuestos.ThG_TRAPP(T, Tc, Vc, Zc, M, w, rho, ko)[source]
Calculate the thermal conductivity of a compressed gas using the TRAPP

(TRAnsport Property Prediction) method.

Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

Vcfloat

Critical volume, [m³/kg]

Zcfloat

Critical pressure, [Pa]

Mfloat

Molecular weight, [g/mol]

wfloat

Acentric factor, [-]

rhofloat

Density, [kg/m3]

kofloat

Low-pressure gas thermal conductivity, [Pa*S]

Returns:
kfloat

High-pressure gas thermal conductivity [W/m·K]

References

[61] Ely, J.F., Hanley, H.J.M.; A Computer Program for the Prediction of Viscosity and Thermal Condcutivity in Hydrocarbon Mixtures. NBS Technical Note 1039 (1981)

[1] Poling, B.E, Prausnitz, J.M, O’Connell, J.P; The Properties of Gases and Liquids 5th Edition. McGraw-Hill, New York, 2001

Examples

Example 9-13 in 1, isobutane at 500K and 100bar

>>> Vc = 184.6/42.081/1000
>>> rho = 1/172.1*42.081*1000
>>> "%0.3f" % ThG_TRAPP(473, 364.9, Vc, 0.2798, 42.081, 0.142, rho, 0.0389)
'0.061'
lib.compuestos.Tension_Parametric(T, args, Tc)[source]

Calculates surface tension of fluid using a parametric equation

\[$\sigma=A\left(1-T_{r}\right)^{B}$\]
\[Tr = \frac{T}{T_c}\]
Parameters:
Tfloat

Temperature, [K]

argslist

Coefficients for equation

Tcfloat

Critical temperature, [K]

Returns:
sigmafloat

Surface tension, [N/m]

Notes

The parameters for several compound are in database

lib.compuestos.Tension_BlockBird(T, Tc, Pc, Tb)[source]
Calculates surface tension of liquid using the Block-Bird correlation

using the Miller expression for α.

\[\frac{\sigma}{P_c^{2/3}T_c^{1/3}} = \left(0.132\alpha_c-0.279\right) \left(1-T_r\right)^{11/9}\]
\[\alpha_c = 0.9076\left(1+\frac{T_br\ln{P_c}}{1-T_{br}}\right)\]
Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

Tbfloat

Normal boiling temperature, [K]

Returns:
sigmafloat

Surface tension, [N/m]

References

[39] Brock, J.R., Bird, R.B.; Surface Tension and the Principle of Corresponding States. AIChE Journal 1(2) (1955) 174-177

[40] Miller, D.G., Thodos, G.; Reduced Frost-Kalkwarf Vapor Pressure Equation. I&EC Fundamentals 2(1) (1963) 78-80

[1] Poling, B.E, Prausnitz, J.M, O’Connell, J.P; The Properties of Gases and Liquids 5th Edition. McGraw-Hill, New York, 2001

Examples

Example 12.2 from 1; ethyl mercaptan at 303K

>>> "%0.1f" % Tension_BlockBird(303, 499, 54.9e5, 308.15).dyncm
'22.4'
lib.compuestos.Tension_Pitzer(T, Tc, Pc, w)[source]
Calculates surface tension of liquid using the Pitzer correlation as

explain in 1

\[\sigma = P_c^{2/3}T_c^{1/3}\frac{1.86 + 1.18\omega}{19.05} \left(\frac{3.75 + 0.91\omega}{0.291 - 0.08\omega}\right)^{2/3} (1 - T_r)^{11/9}\]
Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

wfloat

Acentric factor, [-]

Returns:
sigmafloat

Liquid surface tension, [N/m]

References

[1] Poling, B.E, Prausnitz, J.M, O’Connell, J.P; The Properties of Gases and Liquids 5th Edition. McGraw-Hill, New York, 2001

Examples

Example 12.2 from 1; ethyl mercaptan at 303K

>>> "%0.1f" % Tension_Pitzer(303, 499, 54.9e5, 0.192).dyncm
'23.5'
lib.compuestos.Tension_ZuoStenby(T, Tc, Pc, w)[source]

Calculates surface tension of liquid using the Zuo-Stenby correlation

\[\sigma_r = \sigma_r^{(1)}+ \frac{\omega - \omega^{(1)}} {\omega^{(2)}-\omega^{(1)}} \left(\sigma_r^{(2)}-\sigma_r^{(1)}\right)\]
\[\sigma_r = \ln{\left(\frac{\sigma}{T_c^{1/3}P_c^{2/3}} + 1\right)}\]
\[\sigma^{(1)} = 40.520(1-T_r)^{1.287} \sigma^{(2)} = 52.095(1-T_r)^{1.21548}\]
Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

wfloat

Acentric factor, [-]

Returns:
sigmafloat

Liquid surface tension, [N/m]

References

[41] Zuo, Y., Stenby, E.H.; Corresponding-States and Parachor Models for the Calculation of Interfacial Tensions. Can. J. Chem. Eng. 75(6) (1997) 1130-1137

Examples

Example 12.2 from 1; ethyl mercaptan at 303K The procedure use the critical properties from meos library, something diferent than Poling values, so the last decimal isn’t exact

>>> "%0.0f" % Tension_ZuoStenby(303, 499, 54.9e5, 0.192).dyncm
'23'
lib.compuestos.Tension_SastriRao(T, Tc, Pc, Tb, alcohol=False, acid=False)[source]

Calculates surface tension of a liquid using the Sastri-Rao correlation

\[\sigma = KT_b^xP_c^yT_{br}^z\left(\frac{T_c-T}{T_c-T_b}\right)^m\]
Parameters:
Tfloat

Temperature of fluid [K]

Tbfloat

Boiling temperature of the fluid [K]

Tcfloat

Critical temperature of fluid [K]

Pcfloat

Critical pressure of fluid [Pa]

Returns:
sigmafloat

Liquid surface tension, [N/m]

References

[42] Sastri, S.R.S., Rao, K.K.; A Simple Method to Predict Surface Tension of Organic Liquids. Chem. Eng. Journal 59(2) (1995) 181-186

Examples

Example 12.2 from 1; ethyl mercaptan at 303K

>>> "%0.2f" % Tension_SastriRao(303, 499, 54.9e5, 308.15).dyncm
'21.92'

Selected point in Table 3 of [42]

>>> from lib.mEoS import Acetone as Ac
>>> "%0.2f" % Tension_SastriRao(298.16, Ac.Tc, Ac.Pc, Ac.Tb).dyncm
'22.36'

>>> from lib.mEoS import Methanol as Met
>>> "%0.2f" % Tension_SastriRao(333.16, Met.Tc, Met.Pc, Met.Tb, True).dyncm
'19.34'
lib.compuestos.Tension_Hakim(T, Tc, Pc, w, X)[source]
Calculates surface tension of a liquid using the Hakim-Steinberg-Stiel

correlation

\[\sigma = P_c^{2/3}T_c^{1/3} \sigma_{r|T_r=0.6} \left(\frac{1-T_r}{0.4}\right)^m\]
\[\sigma_{r|T_r=0.6} = 0.1574 + 0.359\omega - 1.769X - 13.69X^2 - 0.51\omega^2 + 1.298\omega X\]
\[m = 1.21+0.5385\omega-14.61X-32.07X^2-1.65\omega^2+22.03X\omega\]
Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

wfloat

Acentric factor, [-]

Xfloat

Stiel Polar Factor, [-]

Returns:
sigmafloat

Liquid surface tension, [N/m]

References

[43] Hakim, D.I., Steinberg, D., Stiel, L.I.; Generalized Relationship for the Surface Tension of Polar Fluids. I&EC Fundamentals 10(1) (1971) 174-75.

[42] Sastri, S.R.S., Rao, K.K.; A Simple Method to Predict Surface Tension of Organic Liquids. Chem. Eng. Journal 59(2) (1995) 181-186

Examples

Selected point in Table 5 of [42]

>>> from lib.mEoS import Methanol as Me
>>> "%0.1f" % Tension_Hakim(313.16, Me.Tc, Me.Pc, Me.f_acent, 0.037).dyncm
'20.4'
lib.compuestos.Tension_Miqueu(T, Tc, Vc, M, w)[source]
Calculates surface tension of a liquid using the Miqueu et al.

correlation

\[\sigma = kT_c\left(\frac{N_A}{V_c}\right)^{2/3} (4.35+4.14\omega)t^{1.26}(1+0.19t^{0.5}-0.487t)\]
Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

Vcfloat

Critical volume, [m^3/kg]

Mfloat

Molecular weight, [g/mol]

wfloat

Acentric factor, [-]

Returns:
sigmafloat

Liquid surface tension, [N/m]

References

[44] Miqueu, C., Broseta, D., Satherley, J., Mendiboure, B., Lachaise, J., Graciaa, A.; An Extended Scaled Equation for the Temperature Dependence of the Surface Tension of Pure Compounds Inferred from an Analysis of Experimental Data. Fluid Phase Equilibria 172(2) (2000) 169-182

lib.compuestos.CpL_Poling(T, Tc, w, Cpgo)[source]
Calculate liquid isobaric heat capacitiy with the CSP method reported

in [1], Eq 6-6.

\[\frac{C_p-C_p^o}{R} = 1.586 + \frac{0.49}{1-T_r} + \omega\left(4.2775 + \frac{6.3\left(1-T_r\right)^{1/3}}{T_r} + \frac{0.4355}{1-T_r}\right)\]
Parameters:
Tfloat

Temperature, [K]

Tcfloat

Critical temperature, [K]

wfloat

Acentric factor, [-]

Cpgofloat

Isobaric ideal gas heat capacity, [J/mol/K]

Returns:
Cplmfloat

Liquid constant-pressure heat capacitiy, [J/mol/K]

Notes

This correlation fail with associating compound

References

[1] Poling, B.E, Prausnitz, J.M, O’Connell, J.P; The Properties of Gases and Liquids 5th Edition. McGraw-Hill, New York, 2001

Examples

Example 6-3 from [1], possible bug in reference

>>> "%0.1f" % CpL_Poling(350.0, 435.5, 0.203, 91.21)
'143.8'
lib.compuestos.facent_LeeKesler(Tb, Tc, Pc)[source]

Calculates acentric factor of a fluid using the Lee-Kesler correlation

Parameters:
Tbfloat

Boiling temperature [K]

Tcfloat

Critical temperature [K]

Pcfloat

Critical pressure [Pa]

Returns:
wfloat

Acentric factor [-]

References

[4] Lee, B.I., Kesler, M.G.; A Generalized Thermodynamic Correlation Based on Three-Parameter Corresponding States. AIChE Journal 21(3) (1975) 510-527

lib.compuestos.prop_Edmister(**kwargs)[source]
Calculate the missing parameters between Tc, Pc, Tb and acentric factor

from the Edmister (1958) correlations

Parameters:
Tcfloat

Critic temperature, [ºR]

Pcfloat

Critic pressure, [psi]

Tbfloat

Boiling temperature, [ºR]

wfloat

Acentric factor, [-]

Returns:
propDict with the input parameter and the missing parameter in input

References

[19] Edmister, W.C.; Applied Hydrocarbon Thermodynamics, Part 4, CompressibilityFactors and Equations of State. Petroleum Refiner. 37 (April, 1958), 173–179

lib.compuestos.facent_AmbroseWalton(Pvr)[source]
Calculates acentric factor of a fluid using the Ambrose-Walton

corresponding-states correlation

Parameters:
Pvrfloat

Reduced vapor pressure of compound at 0.7Tc, [-]

Returns:
wfloat

Acentric factor [-]

References

[8] Ambrose, D., Walton, J.; Vapour Pressures up to Their Critical Temperatures of Normal Alkanes and 1-Alkanols. Pure & Appl. Chem. 61(8) 1395-1403 (1989)

[1] Poling, B.E, Prausnitz, J.M, O’Connell, J.P; The Properties of Gases and Liquids 5th Edition. McGraw-Hill, New York, 2001

lib.compuestos.Vc_Riedel(Tc, Pc, w, M)[source]
Calculates critical volume of a fluid using the Riedel correlation

as explain in 5, procedure 4A3.1, Pag. 302

Parameters:
Tcfloat

Critical temperature, [K]

Pcfloat

Critical pressure, [Pa]

wfloat

Acentric factor, [-]

Mfloat

Molecular weight, [g/mol]

Returns:
Vcfloat

Critical volume, [m³/kg]

References

[17] Riedel, L.; Kritischer Koeffizient, Dichte des gesättigten Dampfes und Verdampfungswärme: Untersuchungen über eine Erweiterung des Theorems der übereinstimmenden Zustände. Teil III. Chem. Ingr. Tech., 26(12) (1954) 679-683

[18] Riedel, L.; Die Zustandsfunktion des realen Gases: Untersuchungen über eine Erweiterung des Theorems der übereinstimmenden Zustände. Chem. Ings-Tech. 28 (1956) 557-562

[5] API; Technical Data book: Petroleum Refining 6th Edition.

Examples

Example in 5, n-nonane

>>> Tc = unidades.Temperature(610.68, "F")
>>> Pc = unidades.Pressure(331.8, "psi")
>>> "%0.3f" % Vc_Riedel(Tc, Pc, 0.4368, 128.2551).ft3lb
'0.068'
lib.compuestos.Rackett(w)[source]
Calculate the rackett constant using the Yamada-Gunn generalized

correlation

Parameters:
wfloat

Acentric factor, [-]

Returns:
Zrafloat

Rackett compressibility factor, [-]

References

[23] Yamada, T., Gunn. R.; Saturated Liquid Molar Volumes: The Rackett Equation. Journal of Chemical Engineering Data 18(2) (1973): 234–236

lib.compuestos.Henry(T, args)[source]
Calculates Henry constant for gases in liquid at low pressure, also

referenced in API procedure 9A7.1, pag 927

\[lnH = A/T + BlnT + CT + D\]
Parameters:
Tfloat

Temperature, [K]

argslist

Coefficients for equation

Returns:
Hfloat

Henry constant, [psi/xmole]

Notes

The parameters for several compound are in database:

Hydrogen, Helium, Argon, Neon, Krypton, Xenon, Oxygen, Nitrogen, Hydrogen sulfide, Carbon monoxide, Carbon dioxide, Sulfur dioxide, Nitrous oxide, Chlorine,Bromine, Iodine, Methane, Ethane, Propane, Ethylene, Ammonia.

The Henry constant is returned as unidades.Pressure instance

References

[60] Edwards, T.J., Newman, J., Prausnitz, J.M.; Thermodynamics of Aqueous Solutions Containing Volatile Weak Electrolytes. AIChE Journal 21(2) (1975) 248-259

[5] API; Technical Data book: Petroleum Refining 6th Edition.

Examples

Example from 5; Hydrogen sulfide in water at 77ºF

>>> T = unidades.Temperature(77, "F")
>>> "%0.0f" % Henry(T, [-65864.7, -215.127, 0.185874, 1384.15]).psi
'8257'
class lib.compuestos.Componente(id=None, **kwargs)[source]

Bases: object

Class to define a chemical compound from the database

Parameters:
idint

index of compound in database

Methods

Cp_Gas_DIPPR(T)

Calculate the specific heat of gas using the DIPPR equations

Cp_Solido_DIPPR(T)

Calculate the specific heat of solid using the DIPPR equations

Cv(T)

Isochoric specific heat

Fase(T, P)

Método que calcula el estado en el que se encuentra la sustancia

Hv_DIPPR(T)

Calculate the heat of vaporization using the DIPPR equations

Mu_Gas(T, P, rho)

Vapor viscosity calculation procedure using the method defined in preferences, decision diagram in API Databook, pag.

Mu_Liquido(T, P)

Liquid viscosity calculation procedure using the method defined in preferences, decision diagram in API Databook, pag.

Pv(T)

Vapor pressure calculation procedure using the method defined in preferences

RhoL(T, P)

Calculate the density of liquid phase using any of available correlation

RhoS(T)

Calculate the density of solid phase using the DIPPR equations

Tension(T)

Liquid surface tension procedure using the method defined in preferences

ThCond_Gas(T, P, rho)

Vapor thermal conductivity calculation procedure using the method defined in preferences, decision diagram in API Databook, pag.

ThCond_Liquido(T, P, rho)

Liquid thermal conductivity procedure using the method defined in preferences, use the decision diagram in 5 Figure 12-0.2 pag 1135

Cp_Liquido

Notes

Additionally can define custom calculation method with the parameters:

  • rhoL: Liquid density correlation index

  • RhoLP: Compressed liquid density correlation index

  • MuL: Liquid viscosity correlation index

  • MuG: Gas viscosity correlation index

  • MuGP: Compressed gas viscosity correlation index

  • ThCondL: Liquid thermal conductivity correlation index

  • ThCondG: Gas thermal conductivity correlation index

  • ThCondPG: Compressed gas thermal conductivity correlation index

  • Tension: Surface tension correlation index

  • facent: Acentric factor correlation index for missing cases

  • Pv: Vapor pressure correlation index

This option overwrite the project configuration and the user configuration, for now only in API usage. Not custom stream property definition in main program

Examples

These are several examples of usage of this class with several configuration definition, obviously not all correlation return valid values.

Surface tension methods: Example 12.2 from 1; ethyl mercaptan at 303K

>>> cmp1 = Componente(137, Tension=0)
>>> cmp2 = Componente(137, Tension=2)
>>> cmp3 = Componente(137, Tension=3)
>>> cmp4 = Componente(137, Tension=4)
>>> cmp5 = Componente(137, Tension=5)
>>> cmp6 = Componente(137, Tension=6)
>>> "%0.2f %0.2f" % (cmp1.Tension(303).dyncm, cmp2.Tension(303).dyncm)
'22.23 22.41'
>>> "%0.2f %0.2f" % (cmp3.Tension(303).dyncm, cmp4.Tension(303).dyncm)
'23.45 22.65'
>>> "%0.2f %0.2f" % (cmp5.Tension(303).dyncm, cmp6.Tension(303).dyncm)
'21.94 22.29'

Gas viscosity methods: Example 9-1 in 1, SO2 at 300ºC

>>> c0 = Componente(51, MuG=0)
>>> c1 = Componente(51, MuG=1)
>>> c2 = Componente(51, MuG=2)
>>> c3 = Componente(51, MuG=3)
>>> c4 = Componente(51, MuG=4)
>>> c5 = Componente(51, MuG=5)
>>> args = (unidades.Temperature(300, "C"), 101325, 0)
>>> "%0.2f %0.2f" % (c0.Mu_Gas(*args).microP, c1.Mu_Gas(*args).microP)
'241.51 243.88'
>>> "%0.2f %0.2f" % (c2.Mu_Gas(*args).microP, c3.Mu_Gas(*args).microP)
'246.25 250.60'
>>> "%0.2f %0.2f" % (c4.Mu_Gas(*args).microP, c5.Mu_Gas(*args).microP)
'243.01 241.95'

Example 9-9 in 1, n-pentane at 500K and 101bar

>>> c0 = Componente(8, MuGP=0)
>>> c1 = Componente(8, MuGP=6)
>>> args = (500, 101e5, 0)
>>> "%0.2f %0.2f" % (c0.Mu_Gas(*args).microP, c1.Mu_Gas(*args).microP)
'534.84 520.54'

Example 9-12 in 1, ammonia at 520K and 600bar

>>> c0 = Componente(63, MuGP=0)
>>> c1 = Componente(63, MuGP=1)
>>> c2 = Componente(63, MuGP=2)
>>> c3 = Componente(63, MuGP=3)
>>> c5 = Componente(63, MuGP=5)
>>> c7 = Componente(63, MuGP=7)
>>> args = (520, 600e5, 1/48.2*17.031*1000)
>>> "%0.2f %0.2f" % (c0.Mu_Gas(*args).microP, c1.Mu_Gas(*args).microP)
'496.31 457.79'
>>> "%0.2f %0.2f" % (c2.Mu_Gas(*args).microP, c3.Mu_Gas(*args).microP)
'454.02 506.49'
>>> "%0.2f %0.2f" % (c5.Mu_Gas(*args).microP, c7.Mu_Gas(*args).microP)
'454.29 508.31'

Liquid viscosity correlations: Example 9.196 from 1; toluene at 383K

>>> c0 = Componente(40, MuL=0)
>>> c1 = Componente(40, MuL=1)
>>> c2 = Componente(40, MuL=2)
>>> c3 = Componente(40, MuL=3)
>>> args = (383, 101325)
>>> "%0.3f %0.3f" % (c0.Mu_Liquido(*args).cP, c1.Mu_Liquido(*args).cP)
'0.239 0.233'
>>> "%0.3f %0.3f" % (c2.Mu_Liquido(*args).cP, c3.Mu_Liquido(*args).cP)
'0.220 0.291'

Example 9.15 from 1, methylcyclohexane at 300K 500 bar

>>> c0 = Componente(39, MuLP=0)
>>> c2 = Componente(39, MuLP=2)
>>> args = (300, 500e5)
>>> "%0.3f %0.3f" % (c0.Mu_Liquido(*args).cP, c2.Mu_Liquido(*args).cP)
'1.045 1.052'

Vapor pressure correlations: Example 7-2 from 1; ethylbenzene at 347.25K

>>> c0 = Componente(45, Pv=0)
>>> c2 = Componente(45, Pv=2)
>>> c3 = Componente(45, Pv=3)
>>> c4 = Componente(45, Pv=4)
>>> c5 = Componente(45, Pv=5)
>>> c6 = Componente(45, Pv=6)
>>> c7 = Componente(45, Pv=7)
>>> "%0.3f %0.3f" % (c0.Pv(347.25).kPa, c2.Pv(347.25).kPa)
'13.342 13.340'
>>> "%0.3f %0.3f" % (c3.Pv(347.25).kPa, c4.Pv(347.25).kPa)
'13.311 12.839'
>>> "%0.3f %0.3f" % (c5.Pv(347.25).kPa, c6.Pv(347.25).kPa)
'13.104 13.393'
>>> "%0.3f" % c7.Pv(347.25).kPa
'13.550'

Liquid density correlations: Example from 5; propane at 30ºF

>>> c0 = Componente(4, RhoL=0)
>>> c1 = Componente(4, RhoL=1)
>>> c2 = Componente(4, RhoL=2)
>>> c3 = Componente(4, RhoL=3)
>>> c4 = Componente(4, RhoL=4)
>>> c5 = Componente(4, RhoL=5)
>>> c6 = Componente(4, RhoL=6)
>>> c7 = Componente(4, RhoL=7)
>>> c8 = Componente(4, RhoL=8)
>>> c9 = Componente(4, RhoL=9)
>>> args = (unidades.Temperature(30, "F"), 1e5)
>>> "%0.3f %0.3f" % (c0.RhoL(*args).kgl, c1.RhoL(*args).kgl)
'0.532 0.532'
>>> "%0.3f %0.3f" % (c2.RhoL(*args).kgl, c3.RhoL(*args).kgl)
'0.539 0.528'
>>> "%0.3f %0.3f" % (c4.RhoL(*args).kgl, c5.RhoL(*args).kgl)
'0.525 0.530'
>>> "%0.3f %0.3f" % (c6.RhoL(*args).kgl, c7.RhoL(*args).kgl)
'0.531 0.529'
>>> "%0.3f %0.3f" % (c8.RhoL(*args).kgl, c9.RhoL(*args).kgl)
'0.529 0.525'

Example from 5; n-octane at 212ºF and 4410 psi

>>> T = unidades.Temperature(212, "F")
>>> P = unidades.Pressure(4410, "psi")
>>> c0 = Componente(12, RhoLP=0)
>>> c1 = Componente(12, RhoLP=1)
>>> c2 = Componente(12, RhoLP=2)
>>> c3 = Componente(12, RhoLP=3)
>>> c4 = Componente(12, RhoLP=4)
>>> c5 = Componente(12, RhoLP=5)
>>> "%0.3f %0.3f" % (c0.RhoL(T, P).kgl, c1.RhoL(T, P).kgl)
'0.676 0.705'
>>> "%0.3f %0.3f" % (c2.RhoL(T, P).kgl, c3.RhoL(T, P).kgl)
'0.672 0.675'
>>> "%0.3f %0.3f" % (c4.RhoL(T, P).kgl, c5.RhoL(T, P).kgl)
'0.678 0.919'

Liquid thermal conductivity: Example in 5, n-butylbenzene at 140ºF

>>> c0 = Componente(78, ThCondL=0)
>>> c1 = Componente(78, ThCondL=1)
>>> c2 = Componente(78, ThCondL=2)
>>> c3 = Componente(78, ThCondL=3)
>>> c4 = Componente(78, ThCondL=4)
>>> c5 = Componente(78, ThCondL=5)
>>> c6 = Componente(78, ThCondL=6)
>>> c7 = Componente(78, ThCondL=7)
>>> T = unidades.Temperature(140, "F")
>>> rho = c0.RhoL(T, 101325)
>>> args = (unidades.Temperature(140, "F"), 101325, rho)
>>> "%0.3f %0.3f" % (c0.ThCond_Liquido(*args), c1.ThCond_Liquido(*args))
'0.120 0.112'
>>> "%0.3f %0.3f" % (c2.ThCond_Liquido(*args), c3.ThCond_Liquido(*args))
'0.122 0.145'
>>> "%0.3f %0.3f" % (c4.ThCond_Liquido(*args), c5.ThCond_Liquido(*args))
'0.125 0.126'
>>> "%0.3f %0.3f" % (c6.ThCond_Liquido(*args), c7.ThCond_Liquido(*args))
'0.112 0.115'

Example 10-13 from 1; toluene at 6330bar and 304K

>>> c0 = Componente(41, ThCondLP=0)
>>> c1 = Componente(41, ThCondLP=1)
>>> c2 = Componente(41, ThCondLP=2)
>>> rho = c0.RhoL(304, 6330e5)
>>> args = (304, 6330e5, rho)
>>> "%0.3f %0.3f" % (c0.ThCond_Liquido(*args), c1.ThCond_Liquido(*args))
'0.356 0.235'
>>> "%0.3f" % c2.ThCond_Liquido(*args)
'0.223'

Gas thermal conductivity: Example in 5, 2-methylbutane at 212ºF and 1atm

>>> c0 = Componente(7, ThCondG=0)
>>> c1 = Componente(7, ThCondG=1)
>>> c2 = Componente(7, ThCondG=2)
>>> c3 = Componente(7, ThCondG=3)
>>> c4 = Componente(7, ThCondG=4)
>>> c5 = Componente(7, ThCondG=5)
>>> T = unidades.Temperature(212, "F")
>>> rho = c0.RhoL(T, 101325)
>>> args = (T, 101325, rho)
>>> "%0.3f %0.3f" % (c0.ThCond_Gas(*args), c1.ThCond_Gas(*args))
'0.022 0.023'
>>> "%0.3f %0.3f" % (c2.ThCond_Gas(*args), c3.ThCond_Gas(*args))
'0.024 0.019'
>>> "%0.3f %0.3f" % (c4.ThCond_Gas(*args), c5.ThCond_Gas(*args))
'0.024 0.029'

Example 10-3 from 1; nitrous oxide at 105ºC and 138bar

>>> c0 = Componente(110, ThCondGP=0)
>>> c1 = Componente(110, ThCondGP=1)
>>> c2 = Componente(110, ThCondGP=2)
>>> T = unidades.Temperature(105, "C")
>>> rho = 1/144*c0.M*1000
>>> args = (T, 138e5, rho)
>>> "%0.4f %0.4f" % (c0.ThCond_Gas(*args), c1.ThCond_Gas(*args))
'0.0415 0.0396'
>>> "%0.4f" % c2.ThCond_Gas(*args)
'0.0406'
METHODS_RhoL = ['DIPPR', 'Rackett', 'Cavett', 'COSTALD', 'Yen-Woods (1966)', 'Yamada-Gun (1973)', 'Bhirud (1978)', 'Mchaweh (2004)', 'Riedel', 'Chueh-Prausnitz (1967)']
METHODS_RhoLP = ['Tait-COSTALD (1982)', 'Chang-Zhao (1990)', 'Aalto-Keskinen (1996)', 'Aalto-Keskinen (1999)', 'Nasrifar (2000)', 'API']
METHODS_MuL = ['DIPPR', 'Parametric', 'Letsou-Stiel (1973)', 'Przedziecki-Sridhar (1985)']
METHODS_MuLP = ['Lucas (1981)', 'API', 'Kouzel']
METHODS_MuG = ['DIPPR', 'Chapman-Enskog', 'Chung (1988)', 'Lucas (1981)', 'Stiel-Thodos (1961)', 'Gharagheizi (2012)', 'Yoon-Thodos (1970)']
METHODS_MuGP = ['Lucas', 'Chung (1988)', 'Brulé', 'Jossi', 'TRAPP', 'Stiel-Thodos', 'Reichenberg', 'Dean-Stiel', 'API']
METHODS_ThG = ['DIPPR', 'Misic-Thodos', 'Chung (1988)', 'Eucken', 'Modified Eucken', 'Riazi-Faghri']
METHODS_ThGP = ['Stiel-Thodos', 'Chung (1988)', 'TRAPP']
METHODS_ThL = ['DIPPR', 'Pachaiyappan', 'Sato-Riedel', 'Kanitkar-Thodos', 'Riazi-Faghri', 'Gharagheizi', 'Lakshmi-Prasad', 'Nicola']
METHODS_ThLP = ['Kanitkar-Thodos', 'Lenoir', 'Missenard']
METHODS_Pv = ['DIPPR', 'Wagner', 'Antoine', 'Ambrose-Walton', 'Lee-Kesler', 'Riedel', 'Sanjari', 'Maxwell-Bonnel']
METHODS_facent = ['Lee-Kesler', 'Edmister', 'Ambrose-Walton']
METHODS_Tension = ['DIPPR', 'Parametric', 'Block-Bird', 'Pitzer', 'Zuo-Stenby', 'Sastri-Rao', 'Hakim', 'Miqueu']
__init__(id=None, **kwargs)[source]
_bool = False
kwargs = {'MuG': None, 'MuGP': None, 'MuL': None, 'MuLP': None, 'Pv': None, 'RhoL': None, 'RhoLP': None, 'Tension': None, 'ThCondG': None, 'ThCondGP': None, 'ThCondL': None, 'ThCondLP': None, 'facent': None}
_f_acent()[source]

Acentric factor calculation in compounds with undefined property

_MuCritical()[source]

Critical viscosity calculation procedure

References

[47] Riazi, M. R.; Characterization and Properties of Petroleum Fractions.. ASTM manual series MNL50, 2005

_Cpo(T)[source]

Ideal gas specific heat calculation procedure from polinomial coefficient in database in the form [A,B,C,D,E,F] Explained in procedure 7A1.1, pag 543

\[Cp = A + BT + CT^2 + DT^3 + ET^4 + FT^5\]
Parameters:
Tfloat

Temperature, [K]

Notes

The units in the calculate cp is in cal/mol·K

References

[5] API; Technical Data book: Petroleum Refining 6th Edition.

_Ho(T)[source]

Ideal gas enthalpy calculation from polinomial coefficient of specific heat saved in database Coefficient in database are in the form [A,B,C,D,E,F] Explained in procedure 7A1.1, pag 543

\[Ho = BT + C/2T^2 + D/3T^3 + E/4T^4 + F/5T^5\]
Parameters:
Tfloat

Temperature, [K]

Notes

The units in the calculate ideal enthalpy are in cal/mol·K, the reference state is set to T=298.15K

References

[5] API; Technical Data book: Petroleum Refining 6th Edition.

_so(T)[source]

Ideal gas entropy calculation from polinomial coefficient of specific heat saved in database Coefficient in database are in the form [A,B,C,D,E,F] Explained in procedure 7A1.1, pag 543

\[So = A \ln T + BT + C/2T^2 + D/3T^3 + E/4T^4 + F/5T^5\]
Parameters:
Tfloat

Temperature, [K]

Notes

The units in the calculate ideal enthalpy are in cal/mol·K, the reference state is set to T=298.15K

References

[5] API; Technical Data book: Petroleum Refining 6th Edition.

RhoS(T)[source]

Calculate the density of solid phase using the DIPPR equations

RhoL(T, P)[source]

Calculate the density of liquid phase using any of available correlation

Pv(T)[source]

Vapor pressure calculation procedure using the method defined in preferences

ThCond_Liquido(T, P, rho)[source]

Liquid thermal conductivity procedure using the method defined in preferences, use the decision diagram in 5 Figure 12-0.2 pag 1135

ThCond_Gas(T, P, rho)[source]

Vapor thermal conductivity calculation procedure using the method defined in preferences, decision diagram in API Databook, pag. 1136

Mu_Gas(T, P, rho)[source]

Vapor viscosity calculation procedure using the method defined in preferences, decision diagram in API Databook, pag. 1026

_K_Chung()[source]

Internal procedure to calculate the polar correction factor for Chung viscosity correlation

Chung, T.H., Lee, L.L., Starling, K.E. Applications of Kinetic Gas Theories and Multiparameter Correlation for Prediction of Dilute Gas Viscosity and Thermal Conductivity Ind. Eng. Chem. Fundam. 23(1) (1984) 8-13

_Collision(T)[source]

Internal procudere to calculate the transport collision integral necessary for Chapman-Enskog viscosity correlation

Mu_Liquido(T, P)[source]

Liquid viscosity calculation procedure using the method defined in preferences, decision diagram in API Databook, pag. 1026

Tension(T)[source]

Liquid surface tension procedure using the method defined in preferences

Hv_DIPPR(T)[source]

Calculate the heat of vaporization using the DIPPR equations

Cp_Solido_DIPPR(T)[source]

Calculate the specific heat of solid using the DIPPR equations

Cp_Liquido(T)[source]
Cp_Gas_DIPPR(T)[source]

Calculate the specific heat of gas using the DIPPR equations

Cv(T)[source]

Isochoric specific heat

Fase(T, P)[source]

Método que calcula el estado en el que se encuentra la sustancia

References