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[Doc] Update citations for some transport classes
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@ -20,6 +20,16 @@
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url = {https://dx.doi.org/10.1063/1.871019},
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url = {https://dx.doi.org/10.1063/1.871019},
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volume = {2},
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volume = {2},
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year = {1995}}
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year = {1995}}
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@article{dixon-lewis1968,
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author = {G.~Dixon-Lewis},
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title = {Flame structure and flame reaction kinetics II. Transport phenomena in multicomponent systems},
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journal = {Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences},
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volume = {307},
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number = {1488},
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pages = {111--135},
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year = {1968},
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doi = {10.1098/rspa.1968.0178},
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URL = {https://royalsocietypublishing.org/doi/abs/10.1098/rspa.1968.0178}}
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@techreport{RADCAL,
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@techreport{RADCAL,
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author = {W.~L.~Grosshandler},
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author = {W.~L.~Grosshandler},
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institution = {National Institute of Standards and Technology},
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institution = {National Institute of Standards and Technology},
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@ -62,18 +72,18 @@
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volume = {19},
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volume = {19},
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year = {2015}}
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year = {2015}}
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@book{kee2003,
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@book{kee2003,
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author = {R.~J.~Kee and M.~E.~Coltrin and P.~Glarborg},
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author = {R.~J.~Kee and M.~E.~Coltrin and P.~Glarborg},
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publisher = {John Wiley & Sons},
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publisher = {John Wiley & Sons},
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title = {Chemically Reacting Flow: Theory and Practice},
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title = {Chemically Reacting Flow: Theory and Practice},
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year = {2003}}
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year = {2003}}
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@book{kee2017,
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@book{kee2017,
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author = {R.~J.~Kee and M.~E.~Coltrin and P.~Glarborg and H.~Zhu},
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author = {R.~J.~Kee and M.~E.~Coltrin and P.~Glarborg and H.~Zhu},
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publisher = {John Wiley & Sons},
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publisher = {John Wiley & Sons},
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title = {Chemically Reacting Flow: Theory and Practice},
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title = {Chemically Reacting Flow: Theory and Practice},
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edition = {2nd},
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edition = {2nd},
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doi = {10.1002/9781119186304},
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doi = {10.1002/9781119186304},
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url = {https://dx.doi.org/10.1002/9781119186304},
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url = {https://dx.doi.org/10.1002/9781119186304},
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year = {2017}}
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year = {2017}}
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@article{khalilpour2020,
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@article{khalilpour2020,
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author = {H.~Khalilpour and G.~Foroutan},
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author = {H.~Khalilpour and G.~Foroutan},
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journal = {Journal of Plasma Physics},
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journal = {Journal of Plasma Physics},
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@ -131,6 +141,16 @@
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author = {A.~Luque},
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author = {A.~Luque},
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title = {{BOLOS}: {BOL}tzmann equation solver {O}pen {S}ource library},
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title = {{BOLOS}: {BOL}tzmann equation solver {O}pen {S}ource library},
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url = {https://github.com/aluque/bolos}}
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url = {https://github.com/aluque/bolos}}
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@article{marrero1972,
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title = {Gaseous diffusion coefficients},
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author = {T.~R.~Marrero and E.~A.~Mason},
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journal = {Journal of Physical and Chemical Reference Data},
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volume = {1},
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number = {1},
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pages = {3--118},
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doi = {10.1063/1.3253094},
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url = {https://doi.org/10.1063/1.3253094},
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year = {1972}}
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@article{mason1983,
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@article{mason1983,
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author = {E.~A.~Mason and A.~P.~Malinauskas},
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author = {E.~A.~Mason and A.~P.~Malinauskas},
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journal = {Chemical Engineering Monographs},
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journal = {Chemical Engineering Monographs},
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@ -138,6 +158,17 @@
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publisher = {Elsevier},
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publisher = {Elsevier},
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title = {Gas Transport in Porous Media: the Dusty-Gas Model},
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title = {Gas Transport in Porous Media: the Dusty-Gas Model},
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year = {1983}}
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year = {1983}}
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@article{monchick1961,
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author = {L.~Monchick and E.~A.~Mason},
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title = "{Transport Properties of Polar Gases}",
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journal = {The Journal of Chemical Physics},
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volume = {35},
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number = {5},
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pages = {1676-1697},
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year = {1961},
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month = {11},
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doi = {10.1063/1.1732130},
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url = {https://doi.org/10.1063/1.1732130}}
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@article{niemeyer2017,
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@article{niemeyer2017,
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author = {K.~E.~Niemeyer and N.~J.~Curtis and C.-J.~Sung},
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author = {K.~E.~Niemeyer and N.~J.~Curtis and C.-J.~Sung},
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journal = {Journal of Computational Science},
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journal = {Journal of Computational Science},
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@ -159,6 +190,14 @@
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url = {https://dx.doi.org/10.1021/ef300747n},
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url = {https://dx.doi.org/10.1021/ef300747n},
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volume = {26},
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volume = {26},
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year = {2012}}
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year = {2012}}
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@book{poling2001,
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author = {B.~E.~Poling and J.~M.~Prausnitz and J.~P.~O'Connell},
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title = {The Properties of Gases and Liquids},
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publisher = {McGraw-Hill},
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address = {New York},
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isbn = {0-07-149999-7},
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year = {2001},
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edition = {Fifth}}
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@phdthesis{prager2005,
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@phdthesis{prager2005,
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author = {J.~Prager},
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author = {J.~Prager},
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school = {Technische Universität Darmstadt},
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school = {Technische Universität Darmstadt},
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@ -205,6 +244,16 @@
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isbn = {978-0471093473},
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isbn = {978-0471093473},
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title = {Chemical Reaction Equilibrium Analysis: Theory and Algorithms},
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title = {Chemical Reaction Equilibrium Analysis: Theory and Algorithms},
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year = {1982}}
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year = {1982}}
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@article{takahashi1975,
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author = {S.~Takahashi},
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title = {Preparation of a Generalized Chart for the Diffusion Coefficients of Gases at High Pressures},
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journal = {Journal of Chemical Engineering of Japan},
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volume = {7},
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number = {6},
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pages = {417--420},
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doi = {10.1252/jcej.7.417},
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url = {https://doi.org/10.1252/jcej.7.417},
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year = {1975}}
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@article{tsang1991,
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@article{tsang1991,
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author = {W.~Tsang and J.~T.~Herron},
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author = {W.~Tsang and J.~T.~Herron},
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journal = {Journal of Physical and Chemical Reference Data},
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journal = {Journal of Physical and Chemical Reference Data},
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@ -167,7 +167,7 @@ protected:
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* Updates the array of pure species viscosities, and the weighting
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* Updates the array of pure species viscosities, and the weighting
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* functions in the viscosity mixture rule. The flag m_visc_ok is set to true.
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* functions in the viscosity mixture rule. The flag m_visc_ok is set to true.
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*
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*
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* The formula for the weighting function is from Poling and Prausnitz,
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* The formula for the weighting function is from Poling et al. @cite poling2001,
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* Eq. (9-5.14):
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* Eq. (9-5.14):
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* @f[
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* @f[
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* \phi_{ij} = \frac{ \left[ 1 + \left( \mu_i / \mu_j \right)^{1/2} \left( M_j / M_i \right)^{1/4} \right]^2 }
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* \phi_{ij} = \frac{ \left[ 1 + \left( \mu_i / \mu_j \right)^{1/2} \left( M_j / M_i \right)^{1/4} \right]^2 }
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@ -196,7 +196,7 @@ protected:
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virtual void setupCollisionParameters();
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virtual void setupCollisionParameters();
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//! Setup range for polynomial fits to collision integrals of
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//! Setup range for polynomial fits to collision integrals of
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//! Monchick & Mason
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//! Monchick & Mason @cite monchick1961
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void setupCollisionIntegral();
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void setupCollisionIntegral();
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//! Read the transport database
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//! Read the transport database
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@ -209,10 +209,9 @@ protected:
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//! Corrections for polar-nonpolar binary diffusion coefficients
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//! Corrections for polar-nonpolar binary diffusion coefficients
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/*!
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/*!
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* Calculate corrections to the well depth parameter and the diameter for
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* Calculate corrections to the well depth parameter and the diameter for use in
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* use in computing the binary diffusion coefficient of polar-nonpolar
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* computing the binary diffusion coefficient of polar-nonpolar pairs. For more
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* pairs. For more information about this correction, see Dixon-Lewis, Proc.
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* information about this correction, see Dixon-Lewis @cite dixon-lewis1968.
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* Royal Society (1968).
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*
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*
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* @param i Species one - this is a bimolecular correction routine
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* @param i Species one - this is a bimolecular correction routine
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* @param j species two - this is a bimolecular correction routine
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* @param j species two - this is a bimolecular correction routine
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@ -276,7 +275,7 @@ protected:
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* d(j,k). This method computes the multiplier by which the first-order
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* d(j,k). This method computes the multiplier by which the first-order
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* binary diffusion coefficient should be multiplied to produce the value
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* binary diffusion coefficient should be multiplied to produce the value
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* correct to second order. The expressions here are taken from Marerro and
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* correct to second order. The expressions here are taken from Marerro and
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* Mason, J. Phys. Chem. Ref. Data, vol. 1, p. 3 (1972).
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* Mason @cite marrero1972.
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*
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*
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* @param t Temperature (K)
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* @param t Temperature (K)
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* @param integrals interpolator for the collision integrals
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* @param integrals interpolator for the collision integrals
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@ -28,10 +28,12 @@ namespace Cantera
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* future version of %Cantera. See
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* future version of %Cantera. See
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* https://github.com/Cantera/cantera/issues/267 for additional information.
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* https://github.com/Cantera/cantera/issues/267 for additional information.
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*
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*
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* The implementation employs a method of corresponding states, using the
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* The implementation employs a method of corresponding states, using the Takahashi
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* Takahashi approach for binary diffusion coefficients, (using multicomponent
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* @cite takahashi1975 approach for binary diffusion coefficients (using multicomponent
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* averaging rules for the mixture properties, and the Lucas method for the
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* averaging rules for the mixture properties), and the Lucas method for the viscosity
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* viscosity of a high-pressure gas mixture.
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* of a high-pressure gas mixture. All methods are described in Poling et al.
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* @cite poling2001 (viscosity in Ch. 9, thermal conductivity in Ch. 10, and diffusion
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* coefficients in Ch. 11).
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*
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*
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* @ingroup tranprops
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* @ingroup tranprops
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*/
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*/
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//! Return the thermal diffusion coefficients (kg/m/s)
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//! Return the thermal diffusion coefficients (kg/m/s)
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/*!
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/*!
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* Eqn. (12.126) displays how they are calculated. The reference work is
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* Eqn. (12.126) of Kee et al. @cite kee2003 displays how they are calculated. The
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* from Dixon-Lewis.
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* reference work is from Dixon-Lewis @cite dixon-lewis1968.
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*
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*
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* Eqns. (12.168) shows how they are used in an expression for the species
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* Eqns. (12.168) of Kee et al. @cite kee2003 shows how they are used in an
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* flux.
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* expression for the species flux.
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*
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*
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* @param dt Vector of thermal diffusion coefficients. Units = kg/m/s
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* @param dt Vector of thermal diffusion coefficients. Units = kg/m/s
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*/
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*/
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@ -88,7 +88,7 @@ void GasTransport::updateViscosity_T()
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updateSpeciesViscosities();
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updateSpeciesViscosities();
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}
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}
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// see Eq. (9-5.15) of Reid, Prausnitz, and Poling
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// see Eq. (9-5.14) of Poling et al. (2001)
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for (size_t j = 0; j < m_nsp; j++) {
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for (size_t j = 0; j < m_nsp; j++) {
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for (size_t k = j; k < m_nsp; k++) {
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for (size_t k = j; k < m_nsp; k++) {
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double vratiokj = m_visc[k]/m_visc[j];
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double vratiokj = m_visc[k]/m_visc[j];
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@ -1,13 +1,6 @@
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/**
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/**
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* @file HighPressureGasTransport.cpp
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* @file HighPressureGasTransport.cpp
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* Implementation file for class HighPressureGasTransport
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* Implementation file for class HighPressureGasTransport
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*
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* Transport parameters are calculated using corresponding states models:
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* Binary diffusion coefficients use the generalized chart described by
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* Takahashi, et al. and viscosity calculations use the Lucas method.
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* All methods are described in Reid, Prausnitz, and Polling, "The Properties
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* of Gases and Liquids, 4th ed., 1987 (viscosity in Ch. 9, Thermal
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* conductivity in Ch. 10, and Diffusion coefficients in Ch. 11).
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**/
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**/
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// This file is part of Cantera. See License.txt in the top-level directory or
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// This file is part of Cantera. See License.txt in the top-level directory or
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@ -1,6 +1,6 @@
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/**
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/**
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* @file MMCollisionInt.h
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* @file MMCollisionInt.h
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* Monk and Monchick collision integrals
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* Monchick and Mason collision integrals
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*/
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*/
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// This file is part of Cantera. See License.txt in the top-level directory or
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// This file is part of Cantera. See License.txt in the top-level directory or
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@ -17,8 +17,7 @@ namespace Cantera
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//! Calculation of Collision integrals
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//! Calculation of Collision integrals
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/*!
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/*!
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* This class provides functions that interpolate the tabulated collision
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* This class provides functions that interpolate the tabulated collision
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* integrals in Monchick and Mason, "Transport Properties of Polar Gases," J.
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* integrals in Monchick and Mason @cite monchick1961.
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* Chem. Phys. (1961)
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*
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*
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* @ingroup tranprops
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* @ingroup tranprops
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*/
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*/
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