Thermophysical properties of pure gases and mixtures at temperatures of 300–30 000 K and atmospheric pressure: thermodynamic properties and solution of equilibrium compositions

Zhongyuan CHI (池中源); Weijun ZHANG (张卫军); Qiangda YANG (杨强大)

doi:10.1088/2058-6272/ac2a08

Plasma Science and Technology > 2021 > 23(12): 125505. > DOI: 10.1088/2058-6272/ac2a08

Zhongyuan CHI (池中源), Weijun ZHANG (张卫军), Qiangda YANG (杨强大). Thermophysical properties of pure gases and mixtures at temperatures of 300–30 000 K and atmospheric pressure: thermodynamic properties and solution of equilibrium compositions[J]. Plasma Science and Technology, 2021, 23(12): 125505. DOI: 10.1088/2058-6272/ac2a08

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Thermophysical properties of pure gases and mixtures at temperatures of 300–30 000 K and atmospheric pressure: thermodynamic properties and solution of equilibrium compositions

School of Metallurgy, Northeastern University, Shenyang 110819, People's Republic of China

Funds: This study was supported by the National Key Research and Development Program of China (No. 2017YFA0700300), the Fundamental Research Funds for the Central Universities (No. N2025032), and the Liaoning Provincial Natural Science Foundation (No. 2020-MS-362).

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Received Date: May 17, 2021
Revised Date: September 22, 2021
Accepted Date: September 23, 2021

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Abstract

Abstract

The equilibrium compositions and thermodynamic properties (density, enthalpy, etc at constant pressure) of plasma of pure gases and mixtures under local thermodynamic nonequilibrium have been calculated in this paper. The homotopy Levenberg–Marquardt algorithm was proposed to accurately solve nonlinear equations with singular Jacobian matrices, and is constructed by the Saha equation and Guldberg–Waage equation combined with mass conservation, the electric neutrality principle and Dalton's partial pressure law, to solve the problem of dependence on the initial value in the process of iteration calculation. In this research, the equations at a higher temperature were solved and used as the auxiliary equations, and the homotopy control parameters' sequence of the homotopy equations was selected by equal ratios. For auxiliary equations, the iterative initial value was obtained by assuming that there were only the highest-valence atomic cations and electrons at this temperature, and the plasma equilibrium composition distribution with the required accuracy was ultimately solved under the current conditions employing the Levenberg–Marquardt algorithm. The control parameter sequence was arranged according to the geometric sequence and the homotopy step was gradually shortened to ensure continuity of the homotopy process. Finally, the equilibrium composition and thermodynamic properties of pure N2, Mg(30%)–CO2(70%) and Mg(40%)–CO(50%)–N2(10%) mixture plasma at atmospheric pressure were calculated and the calculation process of some specified temperatures was shown and analyzed. The calculation accuracy of equilibrium composition is higher than other findings in the literature. The results for the thermodynamic properties are in good agreement with data reported by the literature.

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[1]	Qian F, Farouk B and Mutharasan R 1995 Metall. Mater.Trans. B 26 1057
[2]	Jian X X and Wu C S 2015 Int. J. Heat Mass Transf. 84 839
[3]	Rietman E A, Patel S H and Lory E R 1996 Comput. Operat.Res. 23 573
[4]	Jacobs T et al 2012 Plasma Chem. Plasma Process 32 1039
[5]	Oda T 2003 J Electr. 57 293
[6]	Rong M Z et al 2014 J. Phys. D Appl. Phys. 47 495202
[7]	Coufal O and Živný O 2011 Eur. Phys. J. D 61 131
[8]	Gleizes A, Gonzalez J J and Freton P 2005 J. Phys. D Appl.Phys. 38 R153
[9]	Murphy A B 2001 J. Phys. D Appl. Phys. 34 R151
[10]	Cressault Y et al 2010 J. Phys. D Appl. Phys. 43 335204
[11]	Murphy A B and Arundell C J 1994 Plasma Chem. Plasma Process 14 451
[12]	Wang W Z et al 2012 Plasma Chem. Plasma Process 32 75
[13]	Gleizes A, Chervy B and Gonzalez J J 1999 J. Phys. D Appl.Phys. 32 2060
[14]	Colombo V, Ghedini E and Sanibondi P 2008 Progr. Nucl.Energy 50 921
[15]	Holclajtner-Antunović I et al 1996 J. Anal. At. Spectrom. 11 325
[16]	McBride B J and Gordon S 1996 Computer Program for Calculation of Complex Chemical Equilibrium Compositions and Applications II. User’s Manual and Program Description (Nasa Reference Publications 1311)
[17]	Godin D and Trépanier J Y 2004 Plasma Chem. Plasma Process 24 447
[18]	Frolov V Y and Ivanov D V 2018 J. Phys. Conf. Ser. 1058 012040
[19]	Rydalevskaya M A 2017 Phys. A: Stat. Mech. Appl. 476 49
[20]	Zhong L L et al 2020 J. Phys. D Appl. Phys. 53 065202
[21]	Kanzow C, Yamashita N and Fukushima M 2004 J. Comput.Appl. Math. 172 375
[22]	Liao S J 1997 Commun. Nonl. Sci. Numer. Simul. 2 95
[23]	Fan J Y 2013 Math. Comput. 83 1173
[24]	Chen L 2016 Appl. Math. Comput. 285 79
[25]	Odibat Z, Momani S and Xu H 2010 Appl. Math. Modell.34 593
[26]	Abbasbandy S 2006 Phys. Lett. A 360 109
[27]	Huber K 1979 Molecular Spectra and Molecular Structure. IV Constants of Diatomic Molecules (New York: Van Nostrand Reinhold)
[28]	Bacri J and Raffanel S 1987 Plasma Chem. Plasma Process 7 53
[29]	‘Atomic Spectra Database NIST Standard Reference Database 78’. Version 5.8 ed 2020 (https://nist.gov/pml/atomicspectra-database/)(https:/doi.org/10.18434/T4W30F)
[30]	Farrenq R et al 1991 J. Mol. Spectrosc. 149 375
[31]	Ostrowska-Kopeć M et al 2015 J. Mol. Spectrosc. 314 63
[32]	Eidelsberg M et al 1987 J. Mol. Spectrosc. 121 309
[33]	Kępa R et al 2004 J. Mol. Spectrosc. 228 66
[34]	Bembenek Z et al 1994 J. Mol. Spectrosc. 165 205
[35]	Shi D H et al 2011 Computat. Theoret. Chem. 978 126
[36]	Liu H et al 2014 Spectrochim. Acta Part A: Mol. Biomol.Spectrosc. 124 216
[37]	Laher R R and Gilmore F R 1991 J. Phys. Chem. Ref. Data 20 685
[38]	Kirby K and Liu B 1979 J. Chem. Phys. 70 893
[39]	Chase M W Jr 1998 NIST-JANAF Thermochemical Tables 4th ed (College Park, MA: American Institute of Physics)
[40]	Knowles P J et al 1988 J. Chem. Phys. 89 7334
[41]	Reddy R R et al 2006 J. Quant. Spectrosc. Radiat. Transf.97 344
[42]	Gray L D and Young A T 1969 J. Quant. Spectrosc. Radiat.Transf. 9 569

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[10]	T. TAKIZUKA. Development of the PARASOL Code and Full Particle Simulation of Tokamak Plasma with an Open-Field SOL-Divertor Region Using PARASOL[J]. Plasma Science and Technology, 2011, 13(3): 316-325.

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3.	Wang, J., Chen, Z., Cheng, Z. et al. Impurity emissivity tomographic reconstruction by CCD imaging system on J-TEXT. 2023. DOI:10.1109/CIYCEE59789.2023.10401533
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Thermophysical properties of pure gases and mixtures at temperatures of 300–30 000 K and atmospheric pressure: thermodynamic properties and solution of equilibrium compositions