journal article·2021-03

Thermodynamic optimization of the As–S system

Viktoria Prostakova, Denis Shishin, Evgueni Jak

Calphad· Volume 72
Publisher page

Abstract

Literature review, critical assessment and thermodynamic modeling of the liquid and solid phases in the As–S system are presented. A set of optimized model parameters was obtained to reproduce previously published experimental data. The literature data included enthalpies of formation, heat capacity, vapor pressure and phase equilibrium data. A significant discrepancy among different sets of literature data was revealed. The model for the liquid phase was developed within the framework of the Modified Quasichemical Model (MQM) in pair approximation. The resulting set of model parameters was merged and tested within a larger multicomponent thermodynamic database for pyrometallurgical copper, lead and recycling industrial operations.
Source: openaire · Quality: candidate unverified · Source record ↗

Research context

OpenAlex topics: Metallurgical Processes and Thermodynamics · Solidification and crystal growth phenomena · Intermetallics and Advanced Alloy Properties

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (66)

Show source-provided references
1. Optical properties and applications of chalcogenide glasses: a review10.1016/j.jnoncrysol.2003.08.064 ↗
2. Thermodynamic modelling of molten slag, matte, metal and speiss phases for the pyrometallurgy of lead (Pb) processing systems
3. Characterization of phase equilibria and thermodynamics with integrated experimental and modelling approach for complex lead primary and recycling processing
4. E. Jak, T. Hidayat, D. Shishin, V. Prostakova, M. Shevchenko, P.C. Hayes, Complex copper pyrometallurgy challenges and opportunities – integrated experimental phase equilibria and thermodynamic modelling research and implementation, In: 58th Annual Conference of Metallurgists Copper'2019, Vancouver, Canada: MetSoc; 2019, p. 595879.
5. D. Shishin, P.C. Hayes, E. Jak, Development and applications of thermodynamic database in copper smelting, In: 58th Annual Conference of Metallurgists Copper'2019, Vancouver, Canada: MetSoc; 2019, p. 594861.
6. Tesfaye · 2010
7. Phase diagram of the As-S system10.1134/S002016850702001X ↗
8. Abrikosov · 1975 · 219
9. Vinogradova · 1984 · 174
10. Die Systeme Arsen-Schwefel und Arsen-Selen und die thermodynamischen Daten ihrer Verbindungen10.1002/zaac.19804630111 ↗
11. Heat capacity study of the phase transitions in arsenic sulfides, As4S3 and As4S410.1002/pssa.2210760217 ↗
12. Integrated experimental study and thermodynamic modelling of the distribution of arsenic between phases in the Cu-Fe-O-S-Si system10.1016/j.jct.2019.02.029 ↗
13. Prostakova · 2020
14. FactSage thermochemical software and databases10.1016/j.calphad.2016.05.002 ↗
15. The modified quasichemical model. I - binary solutions10.1007/s11663-000-0103-2 ↗
16. The modified quasichemical model. II - multicomponent solutions10.1007/s11661-001-0226-3 ↗
17. The arsenic-sulfur system: study of phase equilibriums between 500 and 950°C in the sector limited by arsenic and arsenic sulfide (As2S2)
18. Fedorova · 1979 · 12
19. Thermochemical study of the system iron-arsenic-sulfur10.1016/0016-7037(69)90031-3 ↗
20. Glass formation and equilibrium phase diagram of the arsenic-sulfur system
21. Study of volatile components in systems containing sulfur and arsenic
22. The Fe-As-S system: phase relations and applications10.2113/gsecongeo.55.7.1345 ↗
23. Kopylov · 2004
24. Vaughan · 1978 · 493
25. Isabaev · 1986 · 183
26. Thermodynamic properties of arsenic sulfides studied by EMF measurements10.1134/S0020168511030034 ↗
27. Arsenic-sulfur and arsenic-selenium glass-forming systems at high pressures and temperatures
28. Phase diagram of arsenic trisulfide at pressures up to 20 kilobars
29. Crystal structure of tetraarsenic trisulfide10.1039/j19700001800 ↗
30. Crystal structure of the b-form of tetraarsenic trisulfide10.1039/DT9730001737 ↗
31. A new experimental method for studying phase separation through neutron diffraction: the case of As-rich liquid alloys in the As–S system10.1016/S0022-3093(02)01763-5 ↗
32. Effect of pressure on optical properties of crystalline arsenic(III) sulfide10.1103/PhysRevB.22.3866 ↗
33. High-pressure crystallization kinetics of arsenic sesquisulfide10.1016/0022-3093(89)90450-X ↗
34. Crystalline arsenic trisulfide: preparation, differential scanning calorimetry and Raman scattering measurements10.1016/S0167-577X(98)00185-2 ↗
35. 1992
36. Investigation of the system: sulphur-arsenic10.1002/zaac.19090620112 ↗
37. Preparation and some properties of arsenic trisulfide single crystals
38. Heats of fusion of the A2VB3VI compounds As2S3, As2Se3, As2Te3, and Sb2S310.1149/1.2407641 ↗
39. Crystallization and melting behavior of orpiment and the structural analog compounds claudetite and arsenic selenide10.1007/BF00799230 ↗
40. Solid state studies on synthetic and natural crystalline arsenic(III) sulfide, As2S3 (orpiment): new data for an old compound10.1021/cm060090s ↗
41. Mills · 1974 · 854
42. Crystal structure of a new crystalline modification of tetraarsenic tetrasulfide (2,4,6,8-tetrathia-1,3,5,7-tetraarsatricyclo[3.3.0.03,7]octane10.1039/dt9720001347 ↗
43. Structure and thermal properties of synthetic realgar (As4S4)10.1016/0022-1902(70)80550-4 ↗
44. The enthalpies of formation and high-temperature thermodynamic functions of the arsenic sulfides (As4S4) and (As2S3)10.1016/0021-9614(80)90184-6 ↗
45. O'Hare · J. Chem. Thermodyn. · 1993 · 25 · 39110.1006/jcht.1993.1042 ↗
46. Vapor formation in the arsenic-selenium system
47. Thermochemical study of compounds in the arsenic-sulfur system
48. Novoselova · 1978 · 110
49. Yungman · 2006
50. Standard molar enthalpies of formation of arsenic sulfides, realgar (α-AsS) and orpiment (As2S3) by high-temperature direct-synthesis calorimetry10.1016/0021-9614(88)90028-6 ↗
51. Kubaschewski · 1993 · 363
52. The vaporization of realgar, arsenic sulfide (As4S4)10.1149/1.2119918 ↗
53. Saturated vapor pressure and heat of formation in arsenic sulfide (As4S4)
54. Vapor composition in the arsenic-sulfur system
55. Saturated vapor pressure of solid arsenous sulfide
56. Thermodynamic properties of the binary system As-S
57. Saturated vapor pressure of arsenic sulfides
58. Volatility and stability of metallic sulfides
59. Isakova · 1968 · 230
60. Affinity of metals for sulphur (Ueber die Affinitat der Metalle zum Schwefel)10.1002/zaac.19251420102 ↗
61. The as (arsenic) system10.1007/BF02882166 ↗
62. Critical assessment and thermodynamic modeling of the Cu-As system10.1016/j.calphad.2017.12.005 ↗
63. Thermodynamic data for arsenic sulfide reactions
64. The Gibbs free energy of gaseous arsenic monosulfide10.1179/cmq.1986.25.2.195 ↗
65. Barin · 1995 · 1880
66. Critical assessment and thermodynamic modeling of Cu-O and Cu-O-S systems10.1016/j.calphad.2012.04.002 ↗