Specific heat at constant pressure, enthalpy and Gibbs free energy of boron nitride (BN) using q-deformed exponential-type potential

2021 ◽  
Vol 613 ◽  
pp. 412940 ◽  
Author(s):  
M. Habibinejad ◽  
R. Khordad ◽  
A. Ghanbari
Keyword(s):  
Free Energy ◽  
Boron Nitride ◽  
Specific Heat ◽  
Gibbs Free Energy ◽  
Exponential Type ◽  
Constant Pressure ◽  
Type Potential

Thermodynamics of The Pd43Ni10Cu27P20 Bulk Metallic Glass Forming Alloy

2003 ◽  
Vol 806 ◽  
Author(s):  
Masahiro Kuno ◽  
Ludi A. Shadowspeaker ◽  
Jan Schroers ◽  
Ralf Busch
Keyword(s):  
Heat Capacity ◽  
Free Energy ◽  
Metallic Glass ◽  
Specific Heat ◽  
Bulk Metallic Glass ◽  
Gibbs Free Energy ◽  
Specific Heat Capacity ◽  
Undercooled Liquid ◽  
Glass Forming ◽  
Crystalline Mixture

ABSTRACTThe thermodynamics of the bulk metallic glass forming Pd43Ni10Cu27P20 alloy were investigated with differential scanning calorimetry (DSC). The specific heat capacity of the undercooled liquid with respect to the crystalline mixture was measured in the DSC simultaneously with the enthalpy of crystallization over the entire supercooled liquid region. The enthalpy, entropy, and Gibbs free energy change between the liquid and the crystalline mixture was determined from the specific heat capacity data. The calculated enthalpy function closely matched the enthalpies of crystallization that were measured in the DSC, which verifies the validity of the thermodynamic model used. A small Gibbs free energy difference between undercooled liquid and crystalline mixture was found for decreasing temperature in Pd43Ni10Cu27P20 when compared to other glass forming alloys. This reflects a small driving force for crystallization when undercooling this alloy and is the main contributing factor for its high glass forming ability.

scholarly journals Thermodynamic functions for boron nitride with q-deformed exponential-type potential

2020 ◽  
Vol 16 ◽  
pp. 102959 ◽  
Author(s):  
C.A. Onate ◽  
M.C. Onyeaju ◽  
U.S. Okorie ◽  
A.N. Ikot
Keyword(s):  
Boron Nitride ◽  
Exponential Type ◽  
Thermodynamic Functions ◽  
Type Potential

scholarly journals A study of thermodynamic properties of quadratic exponential-type potential in D-dimensions

2018 ◽  
Vol 64 (6) ◽  
pp. 608 ◽  
Author(s):  
Uduakobong Sunday Okorie
Keyword(s):  
Molecular Dynamics ◽  
Free Energy ◽  
Thermodynamic Properties ◽  
Exponential Type ◽  
Factorization Method ◽  
Vibrational Entropy ◽  
Energy Eigenvalues ◽  
Modified Factorization Method ◽  
Vibrational Partition Function ◽  
Type Potential

We solved the Schrodinger equation with Quadratic Exponential-Type Potential (QEP) model in D-dimensions using the Modified factorization method. The energy eigenvalues and total wavefunctions were obtained in a Gauss hypergeometric form. The thermodynamic properties including vibrational partition function, vibrational mean energy, vibrational mean free energy and vibrational entropy have been calculated for the electronic state of (X1 Σ +g) Rubidium (Rb2) dimer. The QEP discussed can be applied extensively in Physics and Chemistry, especially in molecular dynamics.

Thermodynamic Properties of Natural Rubber and Isoprene

1966 ◽  
Vol 39 (1) ◽  
pp. 143-148 ◽  
Author(s):  
R. W. Warfield ◽  
M. C. Petree
Keyword(s):  
Free Energy ◽  
Glass Transition ◽  
Thermodynamic Properties ◽  
Natural Rubber ◽  
Specific Heat ◽  
Gibbs Free Energy ◽  
Kcal Mole ◽  
Specific Heat Data ◽  
Temperature Range ◽  
Heat Data

Abstract Using published specific heat data, the entropy, enthalpy, and Gibbs free energy of natural rubber (NR) have been calculated over the temperature range 0 to 320° K. The thermodynamic function Cp/T as a function of T calculated for NR exhibits a maximum at 50° K and another maximum at 210° K, which is associated with the glass transition. The number of classically vibrating units per repeating unit of NR is 6.61 at 300° K. These functions have also been calculated for isoprene over the temperature range 0 to 300° K. At 298.16° K the entropy of polymerization was found to be 24.00 cal mole−1deg−1 and the free energy of polymerization − 10.7 kcal/mole.

scholarly journals The Important Thermal Characteristics of Matter and Their Computations with the Use of the Gibbs Potentials

2019 ◽  
Vol 19 (2) ◽  
pp. 134-138
Author(s):  
Y. S. Budzhak ◽  
T. Wacławski
Keyword(s):  
Heat Capacity ◽  
Free Energy ◽  
Specific Heat ◽  
Internal Energy ◽  
Gibbs Free Energy ◽  
Specific Heat Capacity ◽  
Thermodynamic Functions ◽  
Thermodynamic Potential ◽  
Thermal Characteristics ◽  
Dynamic Potential

In this paper, the important thermal characteristics of matter  (they describe thermodynamic systems in a state of thermodynamic equilibrium) were calculated.  There are the following  important thermodynamic functions:   the system   internal energy ,  the thermal function (or enthalpy)   the  free  Helmholtz energy, the thermo-dynamic potential  (or Gibbs free energy), the Gibbs grand thermodynamic potential , the entropy ,  the specific heat capacity . These functions are explicit functions of system’s parameters, they fulfil some mathe-matical relationships  and posses   some total differentials. These  functions  are calculated  in this paper and their physical sense is given in the cited works.

Chemical equilibrium and chemical kinetics

2018 ◽  
Author(s):  
Dennis Sherwood ◽  
Paul Dalby
Keyword(s):  
Free Energy ◽  
Equilibrium Constant ◽  
Gibbs Free Energy ◽  
Chemical Kinetics ◽  
Chemical Equilibrium ◽  
First Principles ◽  
Effect Of Temperature ◽  
Total System ◽  
Free Energies

Building on the previous chapter, this chapter examines gas phase chemical equilibrium, and the equilibrium constant. This chapter takes a rigorous, yet very clear, ‘first principles’ approach, expressing the total Gibbs free energy of a reaction mixture at any time as the sum of the instantaneous Gibbs free energies of each component, as expressed in terms of the extent-of-reaction. The equilibrium reaction mixture is then defined as the point at which the total system Gibbs free energy is a minimum, from which concepts such as the equilibrium constant emerge. The chapter also explores the temperature dependence of equilibrium, this being one example of Le Chatelier’s principle. Finally, the chapter links thermodynamics to chemical kinetics by showing how the equilibrium constant is the ratio of the forward and backward rate constants. We also introduce the Arrhenius equation, closing with a discussion of the overall effect of temperature on chemical equilibrium.

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