Journal ArticleDOI
Prediction of thermodynamic properties for sulfur dioxide
Dandan Liang,Ran Zeng,Chao Wen Wang,Qun-Chao Din,Lin-Sheng Wei,Xiao-Long Peng,Jian-Yi Liu,Jin Yu,Chun-Sheng Jia +8 more
TLDR
In this paper , a formulation representation of the molar Gibbs free energy for sulfur dioxide (SO2) was proposed, which depends only on experimental values of six molecular constants of SO2, whereas the conventional explicit representations contain many adjustable coefficients determined from fitting a great number of experimental spectroscopic data or calorimetric data.About:
This article is published in Journal of Molecular Liquids.The article was published on 2022-02-01. It has received 24 citations till now. The article focuses on the topics: Gibbs free energy & Chemistry.read more
Citations
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Journal ArticleDOI
Prediction of thermodynamic properties for sulfur dimer
Qunshan Ding,Chun-Sheng Jia,Jun-Zhe Liu,Ji Li,Ruo-Fei Du,Jian-Yi Liu,Xiao-Long Peng,Chao Wen Wang,Haojie Tang +8 more
TL;DR: In this article , the Gibbs free energy and entropy of S2 were derived from the experimental values of four molecular constants of S 2 and the average absolute deviations between these values and the NIST data were 0.23236 % and 0.62573 %, respectively.
Journal ArticleDOI
Theoretical prediction of Gibbs free energy and specific heat capacity of gaseous molecules
TL;DR: In this paper , the improved generalized Pöschl-Teller oscillator was used to predict molar Gibbs free energy and specific heat capacity at constant pressure for ground-state Br 2 , Cl 2 diatomic molecules and CO gaseous molecule.
Journal ArticleDOI
Analytical prediction of enthalpy and Gibbs free energy of gaseous molecules
TL;DR: In this article , the improved deformed Pöschll-Teller oscillator was used to describe the internal vibration of a diatomic molecule to predict the molar enthalpy and Gibbs free energy of diatomic molecules.
Journal ArticleDOI
Unified non-fitting formulation representation of thermodynamic properties for diatomic substances
Qun-Chao Ding,Chun-Sheng Jia,Chao Wen Wang,Xiao-Long Peng,Jian-Yi Liu,Liehui Zhang,Rui Jiang,Suyang Zhu,Hua Yuan,Haojie Tang +9 more
TL;DR: In this article , a unified non-fitting formulization representation of the Gibbs free energy for diatomic substances is presented, where the present correlation with temperature and pressure as independent variables is significantly dependent on experimental data of four molecular constants.
Journal ArticleDOI
Prediction of thermal properties of phosphorus dimer – the analytical approach
TL;DR: In this paper , modified hyperbolical-type oscillator was used to simulate the internal vibration of a diatomic molecule and new analytical equations for the prediction of molar entropy, enthalpy, Gibbs free energy, and isobaric specific heat capacity were derived.
References
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Journal ArticleDOI
The IAPWS Formulation 1995 for the Thermodynamic Properties of Ordinary Water Substance for General and Scientific Use
Wolfgang Wagner,Andreas Pruß +1 more
TL;DR: The International Association for the Properties of Water and Steam (IAPWS) adopted a new formulation called "The IAPWS Formulation 1995 for the Thermodynamic Properties of Ordinary Water Substance for General and Scientific Use" as discussed by the authors.
Journal ArticleDOI
An improved potential for non-rigid water molecules in the liquid phase
TL;DR: In this article, a modification of the central-force model for liquid water is proposed; a spectroscopic potential is adapted to describe the intramolecular interactions, and liquid shifts of internal vibrational frequencies obtained from MD simulations are in good agreement with available spectroscopy data.
Journal ArticleDOI
SO2 emissions and lifetimes: Estimates from inverse modeling using in situ and global, space-based (SCIAMACHY and OMI) observations
Chulkyu Lee,Chulkyu Lee,Randall V. Martin,Randall V. Martin,Aaron van Donkelaar,Hanlim Lee,Russell R. Dickerson,Jennifer C. Hains,Nickolay A. Krotkov,Andreas Richter,Konstantine Vinnikov,James J. Schwab +11 more
TL;DR: In this paper, top-down constraints on global sulfur dioxide (SO2) emissions are inferred through inverse modeling using SO2 column observations from two satellite instruments (SCIAMACHY and OMI).
Journal ArticleDOI
Partition function of improved Tietz oscillators
TL;DR: In this paper, a closed-form expression of the vibrational partition function for the improved Tietz potential energy model is presented, which is applicable to many issues in chemical physics and engineering.
Journal ArticleDOI
Mass‐Spectrometric Study of Photoionization. XI. Hydrogen Sulfide and Sulfur Dioxide
TL;DR: In this article, photoionization yield curves were obtained for the molecule and fragment ions of H2S and SO2 from onsets of ionization to 600 A. The ionization thresholds are tabulated and heats of formation of ions and radicals are calculated.