Effect of Temperature on the Standard Transformed Thermodynamic Properties of Biochemical Reactions with Emphasis on the Maxwell Equations

2003 ◽  
Vol 107 (15) ◽  
pp. 3631-3635 ◽  
Author(s):  
Robert A. Alberty
Keyword(s):  
Thermodynamic Properties ◽  
Maxwell Equations ◽  
Effect Of Temperature ◽  
Biochemical Reactions

DFT study of electronic and thermodynamic properties of gold-rich intermetallic compounds, Ce2Au2Cd and CeAu4Cd2

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Jyoti Sagar ◽  
Reetu Singh ◽  
Vijay Kumar ◽  
Sanjay Kumar ◽  
Manish P. Singh ◽  
...  
Keyword(s):  
Thermodynamic Properties ◽  
Mechanical Strength ◽  
Intermetallic Compounds ◽  
Density Functional ◽  
Electronic Band Structure ◽  
Debye Model ◽  
Effect Of Temperature ◽  
Mechanical Resistance ◽  
Electronic Band ◽  
High Mechanical Strength

Abstract Gold-rich rare earth intermetallic compounds (viz. Ce2Au2Cd and CeAu4Cd2) show unusual magnetic and physical properties, and they have extensive applications in electronic and mechanical industries due to their good electronic and thermal behavior with high mechanical strength. In the present research article, to take full advantage of technological importance of these materials, we have investigated the structural, electronic and thermodynamic properties of Ce2Au2Cd and CeAu4Cd2 ternary intermetallic compounds using density functional theory (DFT). The electronic band structure and density of state calculations show that Ce-f orbital electrons provide metallic character to both the compounds with strong hybridization of Au-p and Cd-p orbitals at the Fermi level. The effect of temperature has been studied on the various thermodynamic parameters using the quasi-harmonic Debye model. Thermodynamic properties show that CeAu4Cd2 compound has larger mechanical resistance (or high mechanical strength or hardness) and smaller randomness compared to Ce2Au2Cd with respect to temperature.

scholarly journals Effect of Temperature on the Structural and Thermodynamic Properties of Aqueous Dimethyl Sulfoxide

2011 ◽  
Vol 27 (02) ◽  
pp. 289-294
Author(s):  
LIU Bo ◽  
◽  
HUANG Shi-Ping ◽  
ZHU Ji-Qin ◽  
WANG Peng ◽  
...  
Keyword(s):  
Thermodynamic Properties ◽  
Dimethyl Sulfoxide ◽  
Effect Of Temperature
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