Thermodynamic properties and performance evaluation of [EMIM] [DMP]‐H 2 O working pair for absorption cooling cycle
Sign Up to like & getrecommendations! Published in 2019 at "International Journal of Energy Research"
DOI: 10.1002/er.5108
Abstract: This publication was made possible by the NPRP grant (NPRP-8-547-2-222) from the Qatar National Research Fund (a member of Qatar Foundation). The statements made herein are solely the responsibility of author(s). read more here.
Keywords: thermodynamic properties; emim dmp; performance evaluation; properties performance ... See more keywords
First‐principles study on structural, electronic, magnetic, elastic, mechanical and thermodynamic properties of Mn2PtCo Heusler alloy
Sign Up to like & getrecommendations! Published in 2021 at "International Journal of Energy Research"
DOI: 10.1002/er.6559
Abstract: The structural, electronic, magnetic, mechanical and thermodynamic properties of the Mn2PtCo Heusler alloy have been investigated in the frame work of density functional theory (DFT). The cohesive energies confirm the Cu2MnAl‐prototype structure of Mn2PtCo with… read more here.
Keywords: thermodynamic properties; mechanical thermodynamic; electronic magnetic; structural electronic ... See more keywords
Investigation of mechanical and thermodynamic properties of La2Zr2O7 pyrochlore
Sign Up to like & getrecommendations! Published in 2021 at "International Journal of Energy Research"
DOI: 10.1002/er.7224
Abstract: This study investigated the mechanical, thermodynamic properties, and minimum thermal conductivity of La2Zr2O7 material with the assistance of density functional theory. Based on the investigated results, the calculated parameters are close to other reported results.… read more here.
Keywords: thermodynamic properties; la2zr2o7 material; investigation mechanical; la2zr2o7 pyrochlore ... See more keywords
Study on Density, Viscosity, and Thermodynamic Properties of MDEA and l‐Arginine Blends as a Potential Solvent for CO2 Capture
Sign Up to like & getrecommendations! Published in 2025 at "Greenhouse Gases: Science and Technology"
DOI: 10.1002/ghg.2355
Abstract: This study investigates the effect of adding l‐arginine (Arg) on the density and viscosity of aqueous solutions of methyldiethanolamine (MDEA). Densities and viscosities were measured at different MDEA (1, 2, and 3 M) and Arg concentrations… read more here.
Keywords: density viscosity; study; thermodynamic properties; viscosity ... See more keywords
Investigation of the Optoelectronic, γ‐Attenuation, and Thermodynamic Properties of Novel MnGa2P3H4NO14 for Energy Applications: A DFT Study
Sign Up to like & getrecommendations! Published in 2024 at "International Journal of Quantum Chemistry"
DOI: 10.1002/qua.27512
Abstract: Transparent conducting oxides (TCOs) from the semiconductor family have garnered considerable interest due to the growing popularity of optoelectronic and thermodynamical applications. Our present study has presented findings on the electronic, optical, and thermodynamic characteristics… read more here.
Keywords: energy; attenuation; study; thermodynamic properties ... See more keywords
First‐Principles to Explore the Pressure on the Structural, Mechanical, Electronic Structure and Thermodynamic Properties of Nb2C
Sign Up to like & getrecommendations! Published in 2025 at "International Journal of Quantum Chemistry"
DOI: 10.1002/qua.70040
Abstract: Nb2C has attracted particular attention in the field of elevated temperature, wear resistance, and corrosion resistance, owing to its unique physical and chemical properties. Currently, fewer efforts have been devoted to the exploration of its… read more here.
Keywords: structural mechanical; pressure structural; mechanical electronic; first principles ... See more keywords
Calculation of Thermodynamic Properties of Bound Water Molecules.
Sign Up to like & getrecommendations! Published in 2018 at "Methods in molecular biology"
DOI: 10.1007/978-1-4939-7756-7_19
Abstract: Water molecules in the binding site of a protein significantly influence protein structure and function, for example, by mediating protein-ligand interactions or in form of desolvation as driving force for ligand binding. The knowledge about… read more here.
Keywords: properties bound; thermodynamic properties; protein; water ... See more keywords
Thermodynamic properties and thermoelastic constitutive relation for cubic crystal structures based on improved free energy
Sign Up to like & getrecommendations! Published in 2019 at "Computational Mechanics"
DOI: 10.1007/s00466-019-01804-1
Abstract: This study proposes new models for thermodynamic properties and thermoelastic constitutive relation of materials with cubic crystal structures. The motion equation of atoms in cubic crystal structures is decomposed into structural deformation and thermal vibration… read more here.
Keywords: cubic crystal; thermodynamic properties; energy; thermoelastic constitutive ... See more keywords
Quantum mechanical investigations of mechanical and thermodynamic properties of SiC and ZrO2 ceramics
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-021-04878-y
Abstract: The mechanical and thermodynamic properties of β and α structures of SiC and also monoclinic and cubic structures of ZrO2 have been considered via first-principles investigations based on the ultrasoft pseudopotential plane-wave DFT method. The… read more here.
Keywords: thermodynamic properties; mechanical thermodynamic; mechanical properties; properties structures ... See more keywords
Thermodynamic properties of the polarized ideal gas in the presence of a minimal length
Sign Up to like & getrecommendations! Published in 2017 at "General Relativity and Gravitation"
DOI: 10.1007/s10714-017-2252-5
Abstract: In this work, we attempt to investigate the effect of minimal length on the thermodynamic properties of a polarized ideal gas. The modified electric field in three spatial dimensions based on the Kempf algebra is… read more here.
Keywords: thermodynamic properties; minimal length; ideal gas; polarized ideal ... See more keywords
A first-principles study of the stability and structural, optical, and thermodynamic properties of hydrogenated silicene
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Computational Electronics"
DOI: 10.1007/s10825-020-01487-5
Abstract: The structural, electronic, optical, and thermodynamic properties of hydrogenated silicene (silicane) in three stable structures, viz. chair (C), boat (B), and tricycle (T), are studied using first-principles calculations. The band structure and density of states… read more here.
Keywords: thermodynamic properties; hydrogenated silicene; properties hydrogenated; optical thermodynamic ... See more keywords