Cantera  3.3.0a1
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1@incollection{bilger1979,
2 author = {R.~W.~Bilger},
3 title = {Turbulent Jet Diffusion Flames},
4 booktitle = {Energy and Combustion Science},
5 editor = {N.~A.~Chigier},
6 publisher = {Pergamon},
7 pages = {109-131},
8 url = {https://doi.org/10.1016/B978-0-08-024780-9.50011-3},
9 doi = {10.1016/B978-0-08-024780-9.50011-3},
10 isbn = {978-0-08-024780-9},
11 year = {1979}}
12@article{bisetti2012,
13 author = {F.~Bisetti and M.~El Morsli},
14 title = {Calculation and analysis of the mobility and diffusion coefficient
15 of thermal electrons in methane/air premixed flames},
16 journal = {Combustion and Flame},
17 volume = {159},
18 pages = {3518--3521},
19 number = {12},
20 url = {https://doi.org/10.1016/j.combustflame.2012.08.002},
21 doi = {10.1016/j.combustflame.2012.08.002},
22 year = {2012}}
23@article{blowers2000,
24 author = {P.~Blowers and R.~Masel},
25 journal = {AIChE Journal},
26 number = {10},
27 pages = {2041--2052},
28 title = {Engineering approximations for activation energies in hydrogen transfer
29 reactions},
30 doi = {10.1002/aic.690461015},
31 url = {https://dx.doi.org/10.1002/aic.690461015},
32 volume = {46},
33 year = {2000}}
34@book{chapman1970,
35 title={The mathematical theory of non-uniform gases},
36 author={S.~Chapman and T.~G.~Cowling},
37 year={1970},
38 publisher={Cambridge University Press},
39 address={Cambridge}}
40@article{chiflikian1995,
41 author = {R.~V.~Chiflikian},
42 journal = {Physics of Plasmas},
43 number = {10},
44 pages = {3902--3909},
45 title = {The analog of {B}lanc's law for drift velocities of electrons in gas
46 mixtures in weakly ionized plasma},
47 doi = {10.1063/1.871019},
48 url = {https://dx.doi.org/10.1063/1.871019},
49 volume = {2},
50 year = {1995}}
51@book{denbigh1981,
52 author = {K.~Denbigh},
53 title = {The Principles of Chemical Equilibrium},
54 publisher = {Cambridge University Press},
55 address = {Cambridge},
56 edition = {Fourth},
57 isbn = {0-521-23682-7},
58 year = {1981}}
59@article{dixon-lewis1968,
60 author = {G.~Dixon-Lewis},
61 title = {Flame structure and flame reaction kinetics II. Transport phenomena in multicomponent systems},
62 journal = {Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences},
63 volume = {307},
64 number = {1488},
65 pages = {111--135},
66 year = {1968},
67 doi = {10.1098/rspa.1968.0178},
68 URL = {https://royalsocietypublishing.org/doi/abs/10.1098/rspa.1968.0178}}
69@article{ely-hanley1981,
70 author = {Ely, James F. and Hanley, H. J. M.},
71 title = {Prediction of transport properties. 1. Viscosity of fluids and mixtures},
72 journal = {Industrial \& Engineering Chemistry Fundamentals},
73 volume = {20},
74 number = {4},
75 pages = {323-332},
76 year = {1981},
77 doi = {10.1021/i100004a004},
78 URL = {https://doi.org/10.1021/i100004a004}}
79@article{ely-hanley1983,
80 author = {Ely, James F. and Hanley, H. J. M.},
81 title = {Prediction of transport properties. 2. Thermal conductivity of pure fluids and mixtures},
82 journal = {Industrial \& Engineering Chemistry Fundamentals},
83 volume = {22},
84 number = {1},
85 pages = {90-97},
86 year = {1983},
87 doi = {10.1021/i100009a016},
88 URL = {https://doi.org/10.1021/i100009a016}}
89@article{gilbert1983,
90 author = {R.~G.~Gilbert and K.~Luther and J.~Troe},
91 journal = {Berichte der Bunsengesellschaft für physikalische Chemie},
92 number = {2},
93 pages = {169--175},
94 title = {Theory of Thermal Unimolecular Reactions in the Fall-off Range. {II.}
95 Weak Collision Rate Constants},
96 doi = {10.1002/bbpc.19830870218},
97 url = {https://doi.org/10.1002/bbpc.19830870218},
98 volume = {87},
99 year = {1983}}
100@techreport{RADCAL,
101 author = {W.~L.~Grosshandler},
102 institution = {National Institute of Standards and Technology},
103 number = {1402},
104 title = {{RADCAL}: A Narrow-Band Model for Radiation Calculations in a Combustion
105 Environment},
106 url = {https://nvlpubs.nist.gov/nistpubs/Legacy/TN/nbstechnicalnote1402.pdf},
107 year = {1993}}
108@misc{gou2011,
109 author = {X.~Gou and J.~A.~Miller and W.~Sun and Y.~Ju},
110 title = {Implementation of {PLOG} function in {C}hemkin {II} and {III}},
111 howpublished = {\url{https://engine.princeton.edu/model-reduction/}},
112 note = {Accessed: 2022-04-25},
113 year = {2011}}
114@article{gudmundsson2001,
115 author = {J.~T.~Gudmundsson},
116 journal = {Plasma Sources Science and Technology},
117 number = {1},
118 pages = {76},
119 title = {On the effect of the electron energy distribution on the plasma
120 parameters of an argon discharge: a global (volume-averaged) model study},
121 doi = {10.1088/0963-0252/10/1/310},
122 url = {https://dx.doi.org/10.1088/0963-0252/10/1/310},
123 volume = {10},
124 year = {2001}}
125@article{hagelaar2005,
126 author = {G.~J.~M.~Hagelaar and L.~C.~Pitchford},
127 journal = {Plasma Sources Science and Technology},
128 number = {4},
129 pages = {722},
130 title = {Solving the {B}oltzmann equation to obtain electron transport
131 coefficients and rate coefficients for fluid models},
132 doi = {10.1088/0963-0252/14/4/011},
133 url = {https://dx.doi.org/10.1088/0963-0252/14/4/011},
134 volume = {14},
135 year = {2005}}
136@article{hagelaar2015,
137 author = {G.~J.~M.~Hagelaar},
138 journal = {Plasma Sources Science and Technology},
139 number = {1},
140 pages = {15015},
141 title = {Coulomb collisions in the {B}oltzmann equation for electrons
142 in low-temperature gas discharge plasmas},
143 doi = {10.1088/0963-0252/25/1/015015},
144 url = {https://dx.doi.org/10.1088/0963-0252/25/1/015015},
145 volume = {25},
146 year = {2015}}
147@article{han2015,
148 author = {J.~Han and X.~Chen and Z.~Zhang and Z.~Li and F.~Qi and Z.~Wang and
149 Z.~Sun},
150 journal = {Combustion Theory and Modelling},
151 number = {6},
152 pages = {744--772},
153 title = {Numerical modelling of ion transport in flames},
154 doi = {10.1080/13647830.2015.1090018},
155 url = {https://dx.doi.org/10.1080/13647830.2015.1090018},
156 volume = {19},
157 year = {2015}}
158@article{harvie1980,
159 author = {C.~E.~Harvie and J.~H.~Weare},
160 title = {The prediction of mineral solubilities in natural waters: the
161 {Na}–{K}-{Mg}-{Ca}-{Cl}-{SO4}-{H2O} system from zero to high
162 concentration at 25° {C}},
163 journal = {Geochimica et Cosmochimica Acta},
164 volume = {44},
165 number = {7},
166 month = jul,
167 url = {https://doi.org/10.1016/0016-7037(80)90287-2},
168 doi = {10.1016/0016-7037(80)90287-2},
169 pages = {981--997},
170 year = {1980}}
171@article{huo2014,
172 author = {H.~Huo and X.~Wang and V.~Yang},
173 journal = {Combustion and Flame},
174 volume = {161},
175 title = {A general study of counterflow diffusion flames at subcritical and
176 supercritical conditions: Oxygen/hydrogen mixtures},
177 pages = {3040-3050},
178 url = {https://doi.org/10.1016/j.combustflame.2014.06.005},
179 doi = {10.1016/j.combustflame.2014.06.005},
180 year = {2014}}
181@article{johnson1992,
182 author = {J.~W.~Johnson and E.~H.~Oelkers and H.~C.~Helgeson},
183 title = {{SUPCRT92}: {A} software package for calculating the standard molal
184 thermodynamic properties of minerals, gases, aqueous species, and reactions
185 from 1 to 5000 bar and 0 to 1000°{C}},
186 journal = {Computers \& Geosciences},
187 volume = {18},
188 number = {7},
189 pages = {899--947},
190 url = {https://doi.org/10.1016/0098-3004(92)90029-Q},
191 doi = {10.1016/0098-3004(92)90029-Q},
192 year = {1992}}
193@techreport{kee1986,
194 author = {R.~J.~Kee and G.~Dixon-Lewis and J.~Warnatz and M.~E.~Coltrin and
195 J.~A.~Miller},
196 institution = {Sandia National Laboratories},
197 number = {SAND86-8246},
198 title = {A {Fortran} computer code package for the evaluation of gas-phase
199 multicomponent transport properties},
200 year = {1986}}
201@techreport{kee1989,
202 author = {R.~J.~Kee and F.~M.~Rupley and J.~A.~Miller},
203 institution = {Sandia National Laboratories},
204 number = {SAND89-8009},
205 title = {{Chemkin-II}: A Fortran chemical kinetics package for the analysis of
206 gas-phase chemical kinetics},
207 url = {https://www.osti.gov/biblio/5681118},
208 year = {1989}}
209@book{kee2003,
210 author = {R.~J.~Kee and M.~E.~Coltrin and P.~Glarborg},
211 publisher = {John Wiley & Sons},
212 title = {Chemically Reacting Flow: Theory and Practice},
213 year = {2003}}
214@book{kee2017,
215 author = {R.~J.~Kee and M.~E.~Coltrin and P.~Glarborg and H.~Zhu},
216 publisher = {John Wiley & Sons},
217 title = {Chemically Reacting Flow: Theory and Practice},
218 edition = {2nd},
219 doi = {10.1002/9781119186304},
220 url = {https://dx.doi.org/10.1002/9781119186304},
221 year = {2017}}
222@article{khalilpour2020,
223 author = {H.~Khalilpour and G.~Foroutan},
224 journal = {Journal of Plasma Physics},
225 number = {2},
226 pages = {1--14},
227 title = {The effects of electron energy distribution function on the plasma
228 sheath structure in the presence of charged nanoparticles},
229 doi = {10.1017/S0022377820000161},
230 url = {https://dx.doi.org/10.1017/S0022377820000161},
231 volume = {86},
232 year = {2020}}
233@article{kim2019,
234 author = {S.~Kim, and J.~Chen and T.~Cheng and A.~Gindulyte and J.~He and S.He
235 and Q.~Li and B.~A.~Shoemaker and P.~A.~Thiessen, and B.~Yu and L.~Zaslavsky
236 and J.Zhangn and E.~E.~Bolton},
237 journal = {Nucleic Acids Research},
238 number = {D1},
239 pages = {D1102--D1109},
240 title = {{PubChem} 2019 update: improved access to chemical data},
241 doi = {10.1093/nar/gky1033},
242 url = {https://dx.doi.org/10.1093/nar/gky1033},
243 volume = {47},
244 year = {2019}}
245@article{kossyi1992,
246 author = {I.~A.~Kossyi and A.~Y.~Kostinsky and A.~A.~Matveyev and V.~P.~Silakov},
247 journal = {Plasma Sources Science and Technology},
248 number = {3},
249 pages = {207},
250 title = {Kinetic scheme of the non-equilibrium discharge in nitrogen-oxygen
251 mixtures},
252 doi = {10.1088/0963-0252/1/3/011},
253 url = {https://dx.doi.org/10.1088/0963-0252/1/3/011},
254 volume = {1},
255 year = {1992}}
256@article{lindemann1922,
257 author = {F.~Lindemann},
258 journal = {Trans. Faraday Soc.},
259 pages = {598},
260 title = {Discussion on “the radiation theory of chemical action”},
261 doi = {10.1039/TF9221700598},
262 url = {https://dx.doi.org/10.1039/TF9221700598},
263 volume = {17},
264 year = {1922}}
265@conference{liu1991,
266 author = {Y.~Liu and B.~Rogg},
267 journal = {EUROTHERM Seminars},
268 pages = {114--127},
269 title = {Modelling of thermally radiating diffusion flames with detailed
270 chemistry and transport},
271 volume = {17},
272 year = {1991}}
273@article{lucassen2011,
274 author = {A.~Lucassen and N.~Labbe and P.~R.~Westmoreland and K.~Kohse-Höinghaus},
275 title = {Combustion chemistry and fuel-nitrogen conversion in a laminar premixed
276 flame of morpholine as a model biofuel},
277 journal = {Combustion and Flame},
278 volume = {158},
279 number = {9},
280 pages = {1647--1666},
281 doi = {10.1016/j.combustflame.2011.02.010},
282 url = {https://dx.doi.org/10.1016/j.combustflame.2011.02.010},
283 year = {2011}}
284@software{BOLOS,
285 author = {A.~Luque},
286 title = {{BOLOS}: {BOL}tzmann equation solver {O}pen {S}ource library},
287 url = {https://github.com/aluque/bolos}}
288@article{marrero1972,
289 title = {Gaseous diffusion coefficients},
290 author = {T.~R.~Marrero and E.~A.~Mason},
291 journal = {Journal of Physical and Chemical Reference Data},
292 volume = {1},
293 number = {1},
294 pages = {3--118},
295 doi = {10.1063/1.3253094},
296 url = {https://doi.org/10.1063/1.3253094},
297 year = {1972}}
298@article{mason1983,
299 author = {E.~A.~Mason and A.~P.~Malinauskas},
300 journal = {Chemical Engineering Monographs},
301 number = {17},
302 publisher = {Elsevier},
303 title = {Gas Transport in Porous Media: the Dusty-Gas Model},
304 year = {1983}}
305@techreport{mcbride2002,
306 author = {B.~J.~McBride and M.~J.~Zehe and S.~Gordon},
307 title = {{NASA} {Glenn} coefficients for calculating thermodynamic properties
308 of individual species},
309 institution = {National Aeronautics and Space Administration},
310 number = {NASA/TP-2002-211556},
311 url = {https://ntrs.nasa.gov/citations/20020085330},
312 year = {2002}}
313@article{monchick1961,
314 author = {L.~Monchick and E.~A.~Mason},
315 title = "{Transport Properties of Polar Gases}",
316 journal = {The Journal of Chemical Physics},
317 volume = {35},
318 number = {5},
319 pages = {1676-1697},
320 year = {1961},
321 month = {11},
322 doi = {10.1063/1.1732130},
323 url = {https://doi.org/10.1063/1.1732130}}
324@article{nickalls1993,
325 author = {R.~W.~D.~Nickalls},
326 title = {A New Approach to Solving the Cubic: Cardan's Solution Revealed},
327 journal = {The Mathematical Gazette},
328 volume = {77},
329 number = {480},
330 pages = {354--359},
331 URL = {https://doi.org/10.2307/3619777},
332 doi = {10.2307/3619777},
333 year = {1993}}
334@article{niemeyer2017,
335 author = {K.~E.~Niemeyer and N.~J.~Curtis and C.-J.~Sung},
336 journal = {Journal of Computational Science},
337 pages = {1--10},
338 title = {{pyJac}: Analytical {J}acobian generator for chemical kinetics},
339 doi = {10.1016/j.cpc.2017.02.004},
340 url = {https://dx.doi.org/10.1016/j.cpc.2017.02.004},
341 volume = {21},
342 year = {2017}}
343@article{nishioka1996,
344 author = {M.~Nishioka and C.K.~Law and T.~Takeno},
345 title = {A Flame-Controlling Continuation Method for Generating S-Curve
346 Responses with Detailed Chemistry},
347 journal = {Combustion and Flame},
348 volume = {104},
349 pages = {328-342},
350 url = {https://doi.org/10.1016/0010-2180(95)00132-8},
351 doi = {10.1016/0010-2180(95)00132-8},
352 year = {1996}}
353@article{pedersen1993,
354 author = {T.~Pedersen and R.~.C.~Brown},
355 title = {Simulation of electric field effects in premixed methane flames},
356 journal = {Combustion and Flame},
357 volume = {94},
358 number = {4},
359 pages = {433--448},
360 url = {https://doi.org/10.1016/0010-2180(93)90125-M},
361 doi = {10.1016/0010-2180(93)90125-M},
362 year = {1993}}
363@article{perini2012,
364 author = {F.~Perini and E.~Galligani and R.~D.~Reitz},
365 journal = {Energy \& Fuels},
366 number = {8},
367 pages = {4804--4822},
368 title = {An analytical {J}acobian approach to sparse reaction kinetics for
369 computationally efficient combustion modeling with large reaction
370 mechanisms},
371 doi = {10.1021/ef300747n},
372 url = {https://dx.doi.org/10.1021/ef300747n},
373 volume = {26},
374 year = {2012}}
375@article{pitzer1975,
376 author = {K.~S.~Pitzer},
377 title = {Thermodynamics of electrolytes. {V}. effects of higher-order electrostatic
378 terms},
379 journal = {Journal of Solution Chemistry},
380 volume = {4},
381 number = {3},
382 pages = {249--265},
383 url = {https://doi.org/10.1007/BF00646562},
384 doi = {10.1007/BF00646562},
385 year = {1975}}
386@book{poling2001,
387 author = {B.~E.~Poling and J.~M.~Prausnitz and J.~P.~O'Connell},
388 title = {The Properties of Gases and Liquids},
389 publisher = {McGraw-Hill},
390 address = {New York},
391 isbn = {0-07-149999-7},
392 year = {2001},
393 edition = {Fifth}}
394@phdthesis{prager2005,
395 author = {J.~Prager},
396 school = {Technische Universität Darmstadt},
397 title = {Modeling and simulation of charged species in lean methane-oxygen
398 flames},
399 doi = {10.11588/heidok.00005889},
400 url = {https://dx.doi.org/10.11588/heidok.00005889},
401 year = {2005}}
402@book{reynolds1979,
403 author = {W.~C.~Reynolds},
404 title = {Thermodynamic Properties in {SI}: graphs, tables, and computational
405 equations for forty substances},
406 publisher = {Stanford University},
407 address = {Stanford},
408 year = {1979}}
409@article{selle1999,
410 author = {S.~Selle and U.~Riedel},
411 journal = {Annals of the New York Academy of Sciences},
412 number = {1},
413 pages = {72--80},
414 title = {Transport properties of ionized species},
415 doi = {10.1111/j.1749-6632.1999.tb08754.x},
416 url = {https://dx.doi.org/10.1111/j.1749-6632.1999.tb08754.x},
417 volume = {891},
418 year = {1999}}
419@conference{selle2000,
420 author = {S.~Selle and U.~Riedel},
421 booktitle = {38th Aerospace Sciences Meeting and Exhibit},
422 organization = {American Institute of Aeronautics and Astronautics},
423 pages = {99--0081},
424 title = {Transport Coefficients of Reacting Air at High Temperatures},
425 doi = {10.2514/6.2000-211},
426 url = {https://dx.doi.org/10.2514/6.2000-211},
427 year = {2000}}
428@article{sengers1986,
429 author = {J.~V.~Sengers and J.~T.~R.~Watson},
430 journal = {Journal of Physical and Chemical Reference Data},
431 number = {4},
432 pages = {1291--1300},
433 title = {Improved International Formulations for the Viscosity and Thermal
434 Conductivity of Water Substance},
435 volume = {15},
436 url = {https://dx.doi.org/10.1063/1.555763},
437 year = {1986},
438 doi = {10.1063/1.555763}}
439@article{silvester1977,
440 author = {L.~F.~Silvester and K.~S.~Pitzer},
441 title = {Thermodynamics of electrolytes. 8. High-temperature properties, including
442 enthalpy and heat capacity, with application to sodium chloride},
443 journal = {Journal of Physical Chemistry},
444 volume = {81},
445 number = {19},
446 pages = {1822--1828},
447 url = {https://doi.org/10.1021/j100534a007},
448 year = {1977}}
449@book{smith1982,
450 author = {W.~R.~Smith and R.~W.~Missen},
451 publisher = {Wiley},
452 address = {New York},
453 isbn = {978-0471093473},
454 title = {Chemical Reaction Equilibrium Analysis: Theory and Algorithms},
455 year = {1982}}
456@online{smith1999,
457 title = {{GRI-Mech} 3.0},
458 author = {G.~P.~Smith and D.~M.~Golden and M.~Frenklach and N~.W.~Moriarty and
459 B.~Eiteneer and M.~Goldenberg and C.~T.~Bowman and R.~K.~Hanson and S.~Song
460 and W.~C.~Gardiner, Jr. and V.~V.~Lissianski and Z.~Qin},
461 url = {http://combustion.berkeley.edu/gri-mech/version30/text30.html},
462 year = {1999}}
463@article{singal2024,
464 author = {P.~J.~Singal and J.~Lee and L.~Lei and R.~L.~Speth and M.~P.~Burke},
465 journal = {Proceedings of the Combustion Institute},
466 title = {Implementation of New Mixture Rules Has a Substantial Impact on Combustion
467 Predictions for {H2} and {NH3}},
468 doi = {10.1016/j.proci.2024.105779},
469 url = {https://doi.org/10.1016/j.proci.2024.105779},
470 volume = {40},
471 number = {1--4},
472 pages = {105779},
473 year = {2024}}
474@article{stewart1989,
475 author = {P.~H.~Stewart and C.~W.~Larson and D.~Golden},
476 journal = {Combustion and Flame},
477 number = {1},
478 pages = {25--40},
479 title = {Pressure and temperature dependence of reactions proceeding via a bound
480 complex. 2. Application to {2 CH3 -> C2H5 + H}},
481 doi = {10.1016/0010-2180(89)90084-9},
482 url = {https://doi.org/10.1016/0010-2180(89)90084-9},
483 volume = {75},
484 year = {1989}}
485@article{takahashi1975,
486 author = {S.~Takahashi},
487 title = {Preparation of a Generalized Chart for the Diffusion Coefficients of Gases at High Pressures},
488 journal = {Journal of Chemical Engineering of Japan},
489 volume = {7},
490 number = {6},
491 pages = {417--420},
492 doi = {10.1252/jcej.7.417},
493 url = {https://doi.org/10.1252/jcej.7.417},
494 year = {1975}}
495@article{tillner-roth1994,
496 author = {R.~Tillner-Roth and H.~D.~Baehr},
497 journal = {Journal of Physical and Chemical Reference Data},
498 number = {5},
499 pages = {657--729},
500 title = {An International Standard Formulation for the Thermodynamic
501 Properties of 1,1,1,2-Tetrafluoroethane ({HFC-134a}) for Temperatures from
502 170 {K} to 455 {K} and Pressures up to 70 {MPa}},
503 doi = {10.1063/1.555958},
504 url = {https://dx.doi.org/10.1063/1.555958},
505 volume = {23},
506 year = {1994}}
507@article{tsang1991,
508 author = {W.~Tsang and J.~T.~Herron},
509 journal = {Journal of Physical and Chemical Reference Data},
510 number = {3},
511 pages = {779--798},
512 title = {Chemical Kinetic Data Base for Propellant Combustion {I.} Reactions
513 Involving {NO}, {NO2}, {HNO}, {HNO2}, {HCN} and {N2O}},
514 doi = {10.1063/1.555890},
515 url = {https://dx.doi.org/10.1063/1.555890},
516 volume = {20},
517 year = {1991}}
518@article{veldsink1995,
519 author = {J.~W.~Veldsink and R.~M.~J.~van Damme and G.~F.~Versteeg and
520 W.~P.~M.~van Swaaij},
521 journal = {Chemical Engineering Journal},
522 number = {2},
523 pages = {115--125},
524 title = {The use of the dusty gas model for the description of mass transport
525 with chemical reaction in porous media},
526 doi = {10.1016/0923-0467(94)02929-6},
527 url = {https://dx.doi.org/10.1016/0923-0467(94)02929-6},
528 volume = {57},
529 year = {1995}}
530@article{viehland1975,
531 author = {L.~A.~Viehland and J.~W.~McConkey and J.~W.~Hogan},
532 journal = {Atomic Data and Nuclear Data Tables},
533 number = {6},
534 pages = {495--514},
535 title = {Tables of transport collision integrals for (n, 6, 4) ion-neutral
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