[Doc] Update citations for some transport classes

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Ray Speth 2023-08-07 12:13:01 -04:00 committed by Ingmar Schoegl
parent c82781e3ed
commit f902ad82f8
7 changed files with 76 additions and 34 deletions

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@ -20,6 +20,16 @@
url = {https://dx.doi.org/10.1063/1.871019}, url = {https://dx.doi.org/10.1063/1.871019},
volume = {2}, volume = {2},
year = {1995}} year = {1995}}
@article{dixon-lewis1968,
author = {G.~Dixon-Lewis},
title = {Flame structure and flame reaction kinetics II. Transport phenomena in multicomponent systems},
journal = {Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences},
volume = {307},
number = {1488},
pages = {111--135},
year = {1968},
doi = {10.1098/rspa.1968.0178},
URL = {https://royalsocietypublishing.org/doi/abs/10.1098/rspa.1968.0178}}
@techreport{RADCAL, @techreport{RADCAL,
author = {W.~L.~Grosshandler}, author = {W.~L.~Grosshandler},
institution = {National Institute of Standards and Technology}, institution = {National Institute of Standards and Technology},
@ -62,18 +72,18 @@
volume = {19}, volume = {19},
year = {2015}} year = {2015}}
@book{kee2003, @book{kee2003,
author = {R.~J.~Kee and M.~E.~Coltrin and P.~Glarborg}, author = {R.~J.~Kee and M.~E.~Coltrin and P.~Glarborg},
publisher = {John Wiley & Sons}, publisher = {John Wiley & Sons},
title = {Chemically Reacting Flow: Theory and Practice}, title = {Chemically Reacting Flow: Theory and Practice},
year = {2003}} year = {2003}}
@book{kee2017, @book{kee2017,
author = {R.~J.~Kee and M.~E.~Coltrin and P.~Glarborg and H.~Zhu}, author = {R.~J.~Kee and M.~E.~Coltrin and P.~Glarborg and H.~Zhu},
publisher = {John Wiley & Sons}, publisher = {John Wiley & Sons},
title = {Chemically Reacting Flow: Theory and Practice}, title = {Chemically Reacting Flow: Theory and Practice},
edition = {2nd}, edition = {2nd},
doi = {10.1002/9781119186304}, doi = {10.1002/9781119186304},
url = {https://dx.doi.org/10.1002/9781119186304}, url = {https://dx.doi.org/10.1002/9781119186304},
year = {2017}} year = {2017}}
@article{khalilpour2020, @article{khalilpour2020,
author = {H.~Khalilpour and G.~Foroutan}, author = {H.~Khalilpour and G.~Foroutan},
journal = {Journal of Plasma Physics}, journal = {Journal of Plasma Physics},
@ -131,6 +141,16 @@
author = {A.~Luque}, author = {A.~Luque},
title = {{BOLOS}: {BOL}tzmann equation solver {O}pen {S}ource library}, title = {{BOLOS}: {BOL}tzmann equation solver {O}pen {S}ource library},
url = {https://github.com/aluque/bolos}} url = {https://github.com/aluque/bolos}}
@article{marrero1972,
title = {Gaseous diffusion coefficients},
author = {T.~R.~Marrero and E.~A.~Mason},
journal = {Journal of Physical and Chemical Reference Data},
volume = {1},
number = {1},
pages = {3--118},
doi = {10.1063/1.3253094},
url = {https://doi.org/10.1063/1.3253094},
year = {1972}}
@article{mason1983, @article{mason1983,
author = {E.~A.~Mason and A.~P.~Malinauskas}, author = {E.~A.~Mason and A.~P.~Malinauskas},
journal = {Chemical Engineering Monographs}, journal = {Chemical Engineering Monographs},
@ -138,6 +158,17 @@
publisher = {Elsevier}, publisher = {Elsevier},
title = {Gas Transport in Porous Media: the Dusty-Gas Model}, title = {Gas Transport in Porous Media: the Dusty-Gas Model},
year = {1983}} year = {1983}}
@article{monchick1961,
author = {L.~Monchick and E.~A.~Mason},
title = "{Transport Properties of Polar Gases}",
journal = {The Journal of Chemical Physics},
volume = {35},
number = {5},
pages = {1676-1697},
year = {1961},
month = {11},
doi = {10.1063/1.1732130},
url = {https://doi.org/10.1063/1.1732130}}
@article{niemeyer2017, @article{niemeyer2017,
author = {K.~E.~Niemeyer and N.~J.~Curtis and C.-J.~Sung}, author = {K.~E.~Niemeyer and N.~J.~Curtis and C.-J.~Sung},
journal = {Journal of Computational Science}, journal = {Journal of Computational Science},
@ -159,6 +190,14 @@
url = {https://dx.doi.org/10.1021/ef300747n}, url = {https://dx.doi.org/10.1021/ef300747n},
volume = {26}, volume = {26},
year = {2012}} year = {2012}}
@book{poling2001,
author = {B.~E.~Poling and J.~M.~Prausnitz and J.~P.~O'Connell},
title = {The Properties of Gases and Liquids},
publisher = {McGraw-Hill},
address = {New York},
isbn = {0-07-149999-7},
year = {2001},
edition = {Fifth}}
@phdthesis{prager2005, @phdthesis{prager2005,
author = {J.~Prager}, author = {J.~Prager},
school = {Technische Universität Darmstadt}, school = {Technische Universität Darmstadt},
@ -205,6 +244,16 @@
isbn = {978-0471093473}, isbn = {978-0471093473},
title = {Chemical Reaction Equilibrium Analysis: Theory and Algorithms}, title = {Chemical Reaction Equilibrium Analysis: Theory and Algorithms},
year = {1982}} year = {1982}}
@article{takahashi1975,
author = {S.~Takahashi},
title = {Preparation of a Generalized Chart for the Diffusion Coefficients of Gases at High Pressures},
journal = {Journal of Chemical Engineering of Japan},
volume = {7},
number = {6},
pages = {417--420},
doi = {10.1252/jcej.7.417},
url = {https://doi.org/10.1252/jcej.7.417},
year = {1975}}
@article{tsang1991, @article{tsang1991,
author = {W.~Tsang and J.~T.~Herron}, author = {W.~Tsang and J.~T.~Herron},
journal = {Journal of Physical and Chemical Reference Data}, journal = {Journal of Physical and Chemical Reference Data},

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@ -167,7 +167,7 @@ protected:
* Updates the array of pure species viscosities, and the weighting * Updates the array of pure species viscosities, and the weighting
* functions in the viscosity mixture rule. The flag m_visc_ok is set to true. * functions in the viscosity mixture rule. The flag m_visc_ok is set to true.
* *
* The formula for the weighting function is from Poling and Prausnitz, * The formula for the weighting function is from Poling et al. @cite poling2001,
* Eq. (9-5.14): * Eq. (9-5.14):
* @f[ * @f[
* \phi_{ij} = \frac{ \left[ 1 + \left( \mu_i / \mu_j \right)^{1/2} \left( M_j / M_i \right)^{1/4} \right]^2 } * \phi_{ij} = \frac{ \left[ 1 + \left( \mu_i / \mu_j \right)^{1/2} \left( M_j / M_i \right)^{1/4} \right]^2 }
@ -196,7 +196,7 @@ protected:
virtual void setupCollisionParameters(); virtual void setupCollisionParameters();
//! Setup range for polynomial fits to collision integrals of //! Setup range for polynomial fits to collision integrals of
//! Monchick & Mason //! Monchick & Mason @cite monchick1961
void setupCollisionIntegral(); void setupCollisionIntegral();
//! Read the transport database //! Read the transport database
@ -209,10 +209,9 @@ protected:
//! Corrections for polar-nonpolar binary diffusion coefficients //! Corrections for polar-nonpolar binary diffusion coefficients
/*! /*!
* Calculate corrections to the well depth parameter and the diameter for * Calculate corrections to the well depth parameter and the diameter for use in
* use in computing the binary diffusion coefficient of polar-nonpolar * computing the binary diffusion coefficient of polar-nonpolar pairs. For more
* pairs. For more information about this correction, see Dixon-Lewis, Proc. * information about this correction, see Dixon-Lewis @cite dixon-lewis1968.
* Royal Society (1968).
* *
* @param i Species one - this is a bimolecular correction routine * @param i Species one - this is a bimolecular correction routine
* @param j species two - this is a bimolecular correction routine * @param j species two - this is a bimolecular correction routine
@ -276,7 +275,7 @@ protected:
* d(j,k). This method computes the multiplier by which the first-order * d(j,k). This method computes the multiplier by which the first-order
* binary diffusion coefficient should be multiplied to produce the value * binary diffusion coefficient should be multiplied to produce the value
* correct to second order. The expressions here are taken from Marerro and * correct to second order. The expressions here are taken from Marerro and
* Mason, J. Phys. Chem. Ref. Data, vol. 1, p. 3 (1972). * Mason @cite marrero1972.
* *
* @param t Temperature (K) * @param t Temperature (K)
* @param integrals interpolator for the collision integrals * @param integrals interpolator for the collision integrals

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@ -28,10 +28,12 @@ namespace Cantera
* future version of %Cantera. See * future version of %Cantera. See
* https://github.com/Cantera/cantera/issues/267 for additional information. * https://github.com/Cantera/cantera/issues/267 for additional information.
* *
* The implementation employs a method of corresponding states, using the * The implementation employs a method of corresponding states, using the Takahashi
* Takahashi approach for binary diffusion coefficients, (using multicomponent * @cite takahashi1975 approach for binary diffusion coefficients (using multicomponent
* averaging rules for the mixture properties, and the Lucas method for the * averaging rules for the mixture properties), and the Lucas method for the viscosity
* viscosity of a high-pressure gas mixture. * of a high-pressure gas mixture. All methods are described in Poling et al.
* @cite poling2001 (viscosity in Ch. 9, thermal conductivity in Ch. 10, and diffusion
* coefficients in Ch. 11).
* *
* @ingroup tranprops * @ingroup tranprops
*/ */

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@ -37,11 +37,11 @@ public:
//! Return the thermal diffusion coefficients (kg/m/s) //! Return the thermal diffusion coefficients (kg/m/s)
/*! /*!
* Eqn. (12.126) displays how they are calculated. The reference work is * Eqn. (12.126) of Kee et al. @cite kee2003 displays how they are calculated. The
* from Dixon-Lewis. * reference work is from Dixon-Lewis @cite dixon-lewis1968.
* *
* Eqns. (12.168) shows how they are used in an expression for the species * Eqns. (12.168) of Kee et al. @cite kee2003 shows how they are used in an
* flux. * expression for the species flux.
* *
* @param dt Vector of thermal diffusion coefficients. Units = kg/m/s * @param dt Vector of thermal diffusion coefficients. Units = kg/m/s
*/ */

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@ -88,7 +88,7 @@ void GasTransport::updateViscosity_T()
updateSpeciesViscosities(); updateSpeciesViscosities();
} }
// see Eq. (9-5.15) of Reid, Prausnitz, and Poling // see Eq. (9-5.14) of Poling et al. (2001)
for (size_t j = 0; j < m_nsp; j++) { for (size_t j = 0; j < m_nsp; j++) {
for (size_t k = j; k < m_nsp; k++) { for (size_t k = j; k < m_nsp; k++) {
double vratiokj = m_visc[k]/m_visc[j]; double vratiokj = m_visc[k]/m_visc[j];

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@ -1,13 +1,6 @@
/** /**
* @file HighPressureGasTransport.cpp * @file HighPressureGasTransport.cpp
* Implementation file for class HighPressureGasTransport * Implementation file for class HighPressureGasTransport
*
* Transport parameters are calculated using corresponding states models:
* Binary diffusion coefficients use the generalized chart described by
* Takahashi, et al. and viscosity calculations use the Lucas method.
* All methods are described in Reid, Prausnitz, and Polling, "The Properties
* of Gases and Liquids, 4th ed., 1987 (viscosity in Ch. 9, Thermal
* conductivity in Ch. 10, and Diffusion coefficients in Ch. 11).
**/ **/
// This file is part of Cantera. See License.txt in the top-level directory or // This file is part of Cantera. See License.txt in the top-level directory or

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@ -1,6 +1,6 @@
/** /**
* @file MMCollisionInt.h * @file MMCollisionInt.h
* Monk and Monchick collision integrals * Monchick and Mason collision integrals
*/ */
// This file is part of Cantera. See License.txt in the top-level directory or // This file is part of Cantera. See License.txt in the top-level directory or
@ -17,8 +17,7 @@ namespace Cantera
//! Calculation of Collision integrals //! Calculation of Collision integrals
/*! /*!
* This class provides functions that interpolate the tabulated collision * This class provides functions that interpolate the tabulated collision
* integrals in Monchick and Mason, "Transport Properties of Polar Gases," J. * integrals in Monchick and Mason @cite monchick1961.
* Chem. Phys. (1961)
* *
* @ingroup tranprops * @ingroup tranprops
*/ */