TY - JOUR

T1 - Mass spectrometric study and modeling of the thermodynamic properties of SrO–Al2O3 melts at high temperatures

AU - Stolyarova, Valentina L.

AU - Vorozhtcov, Viktor A.

AU - Lopatin, Sergey I.

AU - Selyutin, Artem A.

AU - Shugurov, Sergey M.

AU - Shilov, Andrey L.

AU - Stolyarov, Vasiliy A.

AU - Almjashev, Vyacheslav I.

N1 - Stolyarova V.L., Vorozhtcov V.A., Lopatin S.I., Selyutin A.A., Shugurov S.M., Shilov A.L., Stolyarov V.A., Almjashev V.I. Mass spectrometric study and modeling of the thermodynamic properties of SrO-Al2O3 melts at high temperatures. // Rapid Commun. Mass Spectrom. 2023. V. 37. N 5. P. e9459. doi: 10.1002/rcm.9459.

PY - 2023/3/15

Y1 - 2023/3/15

N2 - RationaleThe SrO–Al2O3 system holds promise as a base for a wide spectrum of advanced materials, which may be synthesized or applied at high temperatures. Therefore, studying vaporization and high-temperature thermodynamic properties of this system is of great practical importance.MethodsSamples of the SrO–Al2O3 system were obtained by solid-state synthesis and identified by X-ray fluorescence analysis, X-ray phase analysis, scanning electron microscopy, electron probe microanalysis, simultaneous thermal analysis, and thermogravimetric analysis. The thermodynamic properties of the SrO–Al2O3 system were studied by the Knudsen effusion mass spectrometric (KEMS) method and were fitted by the Redlich–Kister and Wilson polynomials. The thermodynamic values obtained were also optimized within the generalized lattice theory of associated solutions (GLTAS).ResultsThe vapor composition, temperature, and concentration dependences of the partial vapor pressures over the samples under study as well as the SrO activities in melts of the SrO–Al2O3 system were determined by the KEMS method. Usage of the Redlich–Kister and Wilson polynomials allowed calculation of the excess Gibbs energies, enthalpies of mixing, and excess entropies in the concentration range 0–33 mol% of SrO at temperatures of 2450 and 2550 K.ConclusionsSignificant negative deviations from the ideality were observed in the melts of the SrO–Al2O3 system at 2450, 2550, and 2650 K. The Wilson polynomial was found to be the optimal approach to describe the thermodynamic properties in the system studied. Optimization of the experimental data using the GLTAS approach allowed the characteristic features of the thermodynamic description of the SrO–Al2O3 system to be elucidated and explained.

AB - RationaleThe SrO–Al2O3 system holds promise as a base for a wide spectrum of advanced materials, which may be synthesized or applied at high temperatures. Therefore, studying vaporization and high-temperature thermodynamic properties of this system is of great practical importance.MethodsSamples of the SrO–Al2O3 system were obtained by solid-state synthesis and identified by X-ray fluorescence analysis, X-ray phase analysis, scanning electron microscopy, electron probe microanalysis, simultaneous thermal analysis, and thermogravimetric analysis. The thermodynamic properties of the SrO–Al2O3 system were studied by the Knudsen effusion mass spectrometric (KEMS) method and were fitted by the Redlich–Kister and Wilson polynomials. The thermodynamic values obtained were also optimized within the generalized lattice theory of associated solutions (GLTAS).ResultsThe vapor composition, temperature, and concentration dependences of the partial vapor pressures over the samples under study as well as the SrO activities in melts of the SrO–Al2O3 system were determined by the KEMS method. Usage of the Redlich–Kister and Wilson polynomials allowed calculation of the excess Gibbs energies, enthalpies of mixing, and excess entropies in the concentration range 0–33 mol% of SrO at temperatures of 2450 and 2550 K.ConclusionsSignificant negative deviations from the ideality were observed in the melts of the SrO–Al2O3 system at 2450, 2550, and 2650 K. The Wilson polynomial was found to be the optimal approach to describe the thermodynamic properties in the system studied. Optimization of the experimental data using the GLTAS approach allowed the characteristic features of the thermodynamic description of the SrO–Al2O3 system to be elucidated and explained.

KW - Knudsen effusion mass spectrometry

KW - thermodynamic properties

KW - vaporization

KW - strontia

KW - alumina

UR - https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/abs/10.1002/rcm.9459

UR - https://www.mendeley.com/catalogue/504f60fe-8753-366b-bbf7-d19f470df97b/

U2 - 10.1002/rcm.9459

DO - 10.1002/rcm.9459

M3 - Article

VL - 37

JO - Rapid Communications in Mass Spectrometry

JF - Rapid Communications in Mass Spectrometry

SN - 0951-4198

IS - 5

M1 - e9459

ER -