Journal ArticleDOI
Predictions of entropy for diatomic molecules and gaseous substances
Chun-Sheng Jia,Wang Chaowen,Liehui Zhang,Xiao-Long Peng,Hong-Ming Tang,Jian-Yi Liu,Yu Xiong,Ran Zeng,Ran Zeng +8 more
TLDR
In this article, an explicit representation of molar entropy for gaseous substances is presented, and the molar entropies can be successfully predicted by applying experimental values of only four molecular constants for the carbon monoxide, hydrogen chloride, hydrogen fluoride, deuterium fluoride and nitrogen monoxide.About:
This article is published in Chemical Physics Letters.The article was published on 2018-01-16. It has received 83 citations till now. The article focuses on the topics: Standard molar entropy & Diatomic molecule.read more
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Gibbs free energy of gaseous phosphorus dimer
TL;DR: In this article, an analytical representation for the prediction of the molar Gibbs free energies of gaseous diatomic molecule substances was established. But the present model is related to three molecular constants and away from the need of lots of experimental spectroscopy data.
Journal ArticleDOI
Prediction of entropy and Gibbs free energy for nitrogen
Chun-Sheng Jia,Liehui Zhang,Xiao-Long Peng,Luo Jianxin,Yulong Zhao,Jian-Yi Liu,Jingjing Guo,Lian-Dong Tang +7 more
TL;DR: In this article, the molar entropy and Gibbs free energy of pure gaseous substances were predicted in the temperature range of 100 to 6,000 K using a closed-form representation.
Journal ArticleDOI
Enthalpy of gaseous phosphorus dimer
TL;DR: In this paper, an explicit representation of molar entropy for gaseous substances was established based on the improved Rosen-Morse oscillator for describing the internal vibration of a molecule, using the dissociation energy, equilibrium internuclear distance and harmonic vibrational frequency.
Journal ArticleDOI
Thermodynamic Properties for Carbon Dioxide.
TL;DR: Three reliable analytical expressions of the entropy, enthalpy and Gibbs free energy of carbon dioxide (CO2) are reported and predictions of these three thermodynamic quantities on the basis of the proposed analytical expressions and in terms of experimental values of five molecular constants for CO2 are performed.
Journal ArticleDOI
Bound state solutions of the Schrodinger equation for the modified Kratzer potential plus screened Coulomb potential
TL;DR: In this article, an approximate solution of the Schrodinger equation for the modified Kratzer potential plus screened Coulomb potential model, within the framework of Nikiforov-Uvarov method, was obtained.
References
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Journal ArticleDOI
Human health effects of air pollution
Marilena Kampa,Elias Castanas +1 more
TL;DR: Air pollution has both acute and chronic effects on human health, affecting a number of different systems and organs, and ranges from minor upper respiratory irritation to chronic respiratory and heart disease, lung cancer, acute respiratory infections in children and chronic bronchitis in adults.
Journal ArticleDOI
Electroreduction of carbon monoxide to liquid fuel on oxide-derived nanocrystalline copper
TL;DR: The results demonstrate the ability to change the intrinsic catalytic properties of Cu for this notoriously difficult reaction by growing interconnected nanocrystallites from the constrained environment of an oxide lattice, demonstrating the feasibility of a two-step conversion of CO2 to liquid fuel that could be powered by renewable electricity.
Journal ArticleDOI
Effect of organic-matter type and thermal maturity on methane adsorption in shale-gas systems
TL;DR: In this article, the authors developed a quantitative model for estimating the adsorbed gas estimate in the presence of moisture and thermal maturity of the gas-sorption ratio in shales.
Journal ArticleDOI
Protein activity regulation by conformational entropy
TL;DR: It is shown that changes in conformational entropy can determine whether protein–ligand interactions will occur, even among protein complexes with identical binding interfaces, despite the interfaces being essentially identical in the various complexes.