diff --git a/doc/doxygen/cantera.bib b/doc/doxygen/cantera.bib index d5a3ce0b4..ea20e47f9 100644 --- a/doc/doxygen/cantera.bib +++ b/doc/doxygen/cantera.bib @@ -1,3 +1,25 @@ +@incollection{bilger1979, + author = {R.~W.~Bilger}, + title = {Turbulent Jet Diffusion Flames}, + booktitle = {Energy and Combustion Science}, + editor = {N.~A.~Chigier}, + publisher = {Pergamon}, + pages = {109-131}, + url = {https://doi.org/10.1016/B978-0-08-024780-9.50011-3}, + doi = {10.1016/B978-0-08-024780-9.50011-3}, + isbn = {978-0-08-024780-9}, + year = {1979}} +@article{bisetti2012, + author = {F.~Bisetti and M.~El Morsli}, + title = {Calculation and analysis of the mobility and diffusion coefficient + of thermal electrons in methane/air premixed flames}, + journal = {Combustion and Flame}, + volume = {159}, + pages = {3518--3521}, + number = {12}, + url = {https://doi.org/10.1016/j.combustflame.2012.08.002}, + doi = {10.1016/j.combustflame.2012.08.002}, + year = {2012}} @article{blowers2004, author = {P.~Blowers and R.~Masel}, journal = {AIChE Journal}, @@ -20,6 +42,14 @@ url = {https://dx.doi.org/10.1063/1.871019}, volume = {2}, year = {1995}} +@book{denbigh1981, + author = {K.~Denbigh}, + title = {The Principles of Chemical Equilibrium}, + publisher = {Cambridge University Press}, + address = {Cambridge}, + edition = {Fourth}, + isbn = {0-521-23682-7}, + year = {1981}} @article{dixon-lewis1968, author = {G.~Dixon-Lewis}, title = {Flame structure and flame reaction kinetics II. Transport phenomena in multicomponent systems}, @@ -82,6 +112,31 @@ url = {https://dx.doi.org/10.1080/13647830.2015.1090018}, volume = {19}, year = {2015}} +@article{harvie1980, + author = {C.~E.~Harvie and J.~H.~Weare}, + title = {The prediction of mineral solubilities in natural waters: the + {Na}–{K}-{Mg}-{Ca}-{Cl}-{SO4}-{H2O} system from zero to high + concentration at 25° {C}}, + journal = {Geochimica et Cosmochimica Acta}, + volume = {44}, + number = {7}, + month = jul, + url = {https://doi.org/10.1016/0016-7037(80)90287-2}, + doi = {10.1016/0016-7037(80)90287-2}, + pages = {981--997}, + year = {1980}} +@article{johnson1992, + author = {J.~W.~Johnson and E.~H.~Oelkers and H.~C.~Helgeson}, + title = {{SUPCRT92}: {A} software package for calculating the standard molal + thermodynamic properties of minerals, gases, aqueous species, and reactions + from 1 to 5000 bar and 0 to 1000°{C}}, + journal = {Computers \& Geosciences}, + volume = {18}, + number = {7}, + pages = {899--947}, + url = {https://doi.org/10.1016/0098-3004(92)90029-Q}, + doi = {10.1016/0098-3004(92)90029-Q}, + year = {1992}} @techreport{kee1989, author = {R.~J.~Kee and F.~M.~Rupley and J.~A.~Miller}, institution = {Sandia National Laboratories}, @@ -205,6 +260,16 @@ month = {11}, doi = {10.1063/1.1732130}, url = {https://doi.org/10.1063/1.1732130}} +@article{nickalls1993, + author = {R.~W.~D.~Nickalls}, + title = {A New Approach to Solving the Cubic: Cardan's Solution Revealed}, + journal = {The Mathematical Gazette}, + volume = {77}, + number = {480}, + pages = {354--359}, + URL = {https://doi.org/10.2307/3619777}, + doi = {10.2307/3619777}, + year = {1993}} @article{niemeyer2017, author = {K.~E.~Niemeyer and N.~J.~Curtis and C.-J.~Sung}, journal = {Journal of Computational Science}, @@ -214,6 +279,16 @@ url = {https://dx.doi.org/10.1016/j.cpc.2017.02.004}, volume = {21}, year = {2017}} +@article{pedersen1993, + author = {T.~Pedersen and R.~.C.~Brown}, + title = {Simulation of electric field effects in premixed methane flames}, + journal = {Combustion and Flame}, + volume = {94}, + number = {4}, + pages = {433--448}, + url = {https://doi.org/10.1016/0010-2180(93)90125-M}, + doi = {10.1016/0010-2180(93)90125-M}, + year = {1993}} @article{perini2012, author = {F.~Perini and E.~Galligani and R.~D.~Reitz}, journal = {Energy \& Fuels}, @@ -226,6 +301,17 @@ url = {https://dx.doi.org/10.1021/ef300747n}, volume = {26}, year = {2012}} +@article{pitzer1975, + author = {K.~S.~Pitzer}, + title = {Thermodynamics of electrolytes. {V}. effects of higher-order electrostatic + terms}, + journal = {Journal of Solution Chemistry}, + volume = {4}, + number = {3}, + pages = {249--265}, + url = {https://doi.org/10.1007/BF00646562}, + doi = {10.1007/BF00646562}, + year = {1975}} @book{poling2001, author = {B.~E.~Poling and J.~M.~Prausnitz and J.~P.~O'Connell}, title = {The Properties of Gases and Liquids}, @@ -280,6 +366,16 @@ year = {1986}, %doi = {10.1063/1.555763}, } +@article{silvester1977, + author = {L.~F.~Silvester and K.~S.~Pitzer}, + title = {Thermodynamics of electrolytes. 8. High-temperature properties, including + enthalpy and heat capacity, with application to sodium chloride}, + journal = {Journal of Physical Chemistry}, + volume = {81}, + number = {19}, + pages = {1822--1828}, + url = {https://doi.org/10.1021/j100534a007}, + year = {1977}} @book{smith1982, author = {W.~R.~Smith and R.~W.~Missen}, publisher = {Wiley}, diff --git a/include/cantera/oneD/IonFlow.h b/include/cantera/oneD/IonFlow.h index b230beaa1..acd1b3a37 100644 --- a/include/cantera/oneD/IonFlow.h +++ b/include/cantera/oneD/IonFlow.h @@ -21,11 +21,8 @@ namespace Cantera * The second stage evaluates drift flux from electric field calculated from * Poisson's equation, which is solved together with other equations. Poisson's * equation is coupled because the total charge densities depends on the species' - * concentration. - * Reference: - * Pederson, Timothy, and R. C. Brown. - * "Simulation of electric field effects in premixed methane flames." - * Combustion and Flames 94.4(1993): 433-448. + * concentration. See Pedersen and Brown @cite pedersen1993 for details. + * * @ingroup flowGroup */ class IonFlow : public StFlow @@ -61,11 +58,7 @@ public: /** * Sometimes it is desired to carry out the simulation using a specified * electron transport profile, rather than assuming it as a constant (0.4). - * Reference: - * Bisetti, Fabrizio, and Mbark El Morsli. - * "Calculation and analysis of the mobility and diffusion coefficient - * of thermal electrons in methane/air premixed flames." - * Combustion and flame 159.12 (2012): 3518-3521. + * See Bisetti and El Morsli @cite bisetti2012. * If in the future the class GasTransport is improved, this method may * be discarded. This method specifies this profile. */ diff --git a/include/cantera/thermo/HMWSoln.h b/include/cantera/thermo/HMWSoln.h index 86f36f4ba..bb056e00f 100644 --- a/include/cantera/thermo/HMWSoln.h +++ b/include/cantera/thermo/HMWSoln.h @@ -435,8 +435,8 @@ class WaterProps; * dependence of these coefficients strongly influence the value of the excess * Enthalpy and excess Volumes of Pitzer solutions. Therefore, these are readily * measurable quantities. HMWSoln provides several different methods for putting - * these dependencies into the coefficients. HMWSoln has an implementation - * described by Silverter and Pitzer (1977), which was used to fit experimental + * these dependencies into the coefficients. HMWSoln has an implementation described + * by Silvester and Pitzer @cite silvester1977, which was used to fit experimental * data for NaCl over an extensive range, below the critical temperature of * water. They found a temperature functional form for fitting the 3 following * coefficients that describe the Pitzer parameterization for a single salt to @@ -543,8 +543,8 @@ class WaterProps; * constant and density of the solvent. This seems to be a relatively well- * documented part of the theory. They theory below comes from Pitzer summation * (Pitzer) in the appendix. It's also mentioned in Bethke's book (Bethke), and - * the equations are summarized in Harvie & Weare (1980). Within the code, @f$ - * \,^E\Theta_{ij}(I) @f$ is evaluated according to the algorithm described in + * the equations are summarized in Harvie & Weare @cite harvie1980. Within the code, + * @f$ \,^E\Theta_{ij}(I) @f$ is evaluated according to the algorithm described in * Appendix B [Pitzer] as * * @f[ @@ -1277,8 +1277,8 @@ public: //! activity coefficients at the current solution temperature, //! pressure, and solution concentration. /*! - * See Denbigh p. 278 for a thorough discussion. This class must be - * overridden in classes which derive from MolalityVPSSTP. This function + * See Denbigh p. 278 @cite denbigh1981 for a thorough discussion. This method must + * be overridden in classes which derive from MolalityVPSSTP. This function * takes over from the molar-based activity coefficient calculation, * getActivityCoefficients(), in derived classes. * @@ -2017,7 +2017,7 @@ private: //! Calculate the lambda interactions. /*! * Calculate E-lambda terms for charge combinations of like sign, using - * method of Pitzer (1975). This implementation is based on Bethke, + * method of Pitzer @cite pitzer1975. This implementation is based on Bethke, * Appendix 2. * * @param is Ionic strength diff --git a/include/cantera/thermo/MixtureFugacityTP.h b/include/cantera/thermo/MixtureFugacityTP.h index e0d08b0f3..38b169ba2 100644 --- a/include/cantera/thermo/MixtureFugacityTP.h +++ b/include/cantera/thermo/MixtureFugacityTP.h @@ -506,9 +506,7 @@ protected: * a positive number (1 or 2). If it only finds the liquid branch solution, * it will return -1 or -2 instead of 1 or 2. * If it returns 0, then there is an error. - * The cubic equation is solved using Nickall's method - * (Ref: The Mathematical Gazette(1993), 77(November), 354--359, - * https://www.jstor.org/stable/3619777) + * The cubic equation is solved using Nickalls' method @cite nickalls1993. * * @param T temperature (kelvin) * @param pres pressure (Pa) diff --git a/include/cantera/thermo/MolalityVPSSTP.h b/include/cantera/thermo/MolalityVPSSTP.h index 5430e00dc..29623fb8e 100644 --- a/include/cantera/thermo/MolalityVPSSTP.h +++ b/include/cantera/thermo/MolalityVPSSTP.h @@ -413,7 +413,7 @@ public: * These are mole-fraction based activity coefficients. In this * object, their calculation is based on translating the values * of the molality-based activity coefficients. - * See Denbigh p. 278 for a thorough discussion. + * See Denbigh p. 278 @cite denbigh1981 for a thorough discussion. * * The molar-based activity coefficients @f$ \gamma_k @f$ may be calculated * from the molality-based activity coefficients, @f$ \gamma_k^\triangle @f$ @@ -441,8 +441,8 @@ public: //! Get the array of non-dimensional molality based activity coefficients at //! the current solution temperature, pressure, and solution concentration. /*! - * See Denbigh p. 278 for a thorough discussion. This class must be - * overridden in classes which derive from MolalityVPSSTP. This function + * See Denbigh p. 278 @cite denbigh1981 for a thorough discussion. This method must + * be overridden in classes which derive from MolalityVPSSTP. This function * takes over from the molar-based activity coefficient calculation, * getActivityCoefficients(), in derived classes. * @@ -546,8 +546,8 @@ protected: //! coefficients at the current solution temperature, pressure, and solution //! concentration. /*! - * See Denbigh p. 278 for a thorough discussion. This class must be - * overridden in classes which derive from MolalityVPSSTP. This function + * See Denbigh p. 278 @cite denbigh1981 for a thorough discussion. This method must + * be overridden in classes which derive from MolalityVPSSTP. This function * takes over from the molar-based activity coefficient calculation, * getActivityCoefficients(), in derived classes. * diff --git a/include/cantera/thermo/PDSS_HKFT.h b/include/cantera/thermo/PDSS_HKFT.h index d8e25d02b..062dc8dcd 100644 --- a/include/cantera/thermo/PDSS_HKFT.h +++ b/include/cantera/thermo/PDSS_HKFT.h @@ -144,14 +144,14 @@ private: //! Main routine that actually calculates the Gibbs free energy difference //! between the reference state at Tr, Pr and T,P /*! - * This is eEqn. 59 in Johnson et al. (1992). + * This is Eqn. 59 in Johnson et al. @cite johnson1992. */ double deltaG() const; //! Main routine that actually calculates the entropy difference //! between the reference state at Tr, Pr and T,P /*! - * This is Eqn. 61 in Johnson et al. (1992). Actually, there appears to + * This is Eqn. 61 in Johnson et al. @cite johnson1992. Actually, there appears to * be an error in the latter. This is a correction. */ double deltaS() const; @@ -192,7 +192,8 @@ private: //! function g appearing in the formulation /*! - * Function g appearing in the Johnson et al formulation + * Function @f$ g @f$ (Eqn. 49) appearing in the Johnson et al. @cite johnson1992 + * formulation. * * @param temp Temperature kelvin * @param pres Pressure (pascal) @@ -206,8 +207,8 @@ private: //! Difference function f appearing in the formulation /*! - * Function f appearing in the Johnson et al formulation of omega_j - * Eqn. 33 ref + * Function @f$ f @f$ (Eqn. 52) appearing in the Johnson et al. @cite johnson1992 + * formulation of @f$ \omega_j @f$ (Eqn. 46). * * @param temp Temperature kelvin * @param pres Pressure (pascal) diff --git a/include/cantera/thermo/ThermoPhase.h b/include/cantera/thermo/ThermoPhase.h index 7bf979a81..6378530a3 100644 --- a/include/cantera/thermo/ThermoPhase.h +++ b/include/cantera/thermo/ThermoPhase.h @@ -1554,8 +1554,7 @@ public: * in the mixture, and @f$ Z_{\mathrm{mass},m,\mathrm{ox}} @f$ and * @f$ Z_{\mathrm{mass},m,\mathrm{fuel}} @f$ are the elemental mass fractions * of the oxidizer and fuel, or from the Bilger mixture fraction, - * which considers the elements C, S, H and O (R. W. Bilger, "Turbulent jet - * diffusion flames," Prog. Energy Combust. Sci., 109-131 (1979)) + * which considers the elements C, S, H and O @cite bilger1979 * @f[ Z_{\mathrm{Bilger}} = \frac{\beta-\beta_{\mathrm{ox}}} * {\beta_{\mathrm{fuel}}-\beta_{\mathrm{ox}}} @f] * with @f$ \beta = 2\frac{Z_C}{M_C}+2\frac{Z_S}{M_S}+\frac{1}{2}\frac{Z_H}{M_H} @@ -1620,7 +1619,7 @@ public: /*! * The equivalence ratio @f$ \phi @f$ is computed from * @f[ \phi = \frac{Z}{1-Z}\frac{1-Z_{\mathrm{st}}}{Z_{\mathrm{st}}} @f] - * where @f$ Z @f$ is the Bilger mixture fraction of the mixture + * where @f$ Z @f$ is the Bilger mixture fraction @cite bilger1979 of the mixture * given the specified fuel and oxidizer compositions * @f$ Z_{\mathrm{st}} @f$ is the mixture fraction at stoichiometric * conditions. Fuel and oxidizer compositions are given either as