The Calculation of Thermodynamic Quantities from Spectroscopic Data for Polyatomic Molecules; the Free Energy, Entropy and Heat Capacity of Steam

1934 ◽  
Vol 2 (2) ◽  
pp. 65-72 ◽  
Author(s):  
A. R. Gordon
Keyword(s):  
Heat Capacity ◽  
Free Energy ◽  
Spectroscopic Data ◽  
Polyatomic Molecules ◽  
Thermodynamic Quantities ◽  
Energy Entropy

scholarly journals HIGH-TEMPERATURE FREE ENERGY, ENTROPY, ENTHALPY AND HEAT CAPACITY OF THORIUM SULFATE1

1960 ◽  
Vol 64 (7) ◽  
pp. 911-914 ◽  
Author(s):  
S. W. Mayer ◽  
B. B. Owens ◽  
T. H. Rutherford ◽  
R. B. Serrins
Keyword(s):  
Heat Capacity ◽  
Free Energy ◽  
High Temperature ◽  
Energy Entropy

Enthalpy, free energy, entropy and heat capacity of cyclohexane and acetaldehyde

2010 ◽  
Vol 75 (9-10) ◽  
pp. 655-667 ◽  
Author(s):  
E. R. Lippincott ◽  
G. Nagarajan ◽  
J. E. Katon
Keyword(s):  
Heat Capacity ◽  
Free Energy ◽  
Energy Entropy

Statistical Thermodynamics Enthalpy, Free Energy, Entropy, and Heat Capacity of Some Hexafluorides of Octahedral Symmetry

1971 ◽  
Vol 26 (10) ◽  
pp. 1658-1666 ◽  
Author(s):  
G. Nagarajan ◽  
Donald C. Brinkley
Keyword(s):  
Heat Capacity ◽  
Free Energy ◽  
Infrared Absorption ◽  
Infrared Absorption Spectrum ◽  
Point Group ◽  
Structural Data ◽  
Octahedral Symmetry ◽  
Symmetry Point Group ◽  
Rigid Rotator ◽  
Energy Entropy

Abstract A detailed analysis of the molecular structural data and infrared absorption and Raman spectra of the hexafluoride of sulfur, selenium, tellurium, molybdenum, technetium, ruthium, rhodium, tungsten, thenium, osmium, iridium, platinum, uranium, neptunium, and plutonium has been made. These molecules, having the greatest number of symmetry elements of all existing molecules, possess an octahedral symmetry with the symmetry point group Oh. They give rise to six fundamental frequencies of which three are allowed in the Raman spectrum, two are allowed in the infrared absorption spectrum, and one is inactive. The inactive mode in normally determined from the overtones and combinations. On the basis of a rigid rotator and harmonic oscillator model, enthalpy, free energy, entropy, and heat capacity for temperatures from 200 °K to 2000 °K have been computed for these molecules. The results are briefly discussed and compared with available experimental data.

Critical Properties of Isobaric Processes of Lennard-Jones Gases

2005 ◽  
Vol 60 (1-2) ◽  
pp. 23-28
Author(s):  
Akira Matsumoto
Keyword(s):  
Heat Capacity ◽  
Free Energy ◽  
Partition Function ◽  
Critical Point ◽  
Gibbs Free Energy ◽  
Canonical Ensemble ◽  
Thermodynamic Quantities ◽  
Lennard Jones ◽  
The Laplace Transform ◽  
Enthalpy And Entropy

The thermodynamic quantities of Lennard-Jones gases, evaluated till the fourth virial coefficient, are investigated for an isobaric process. A partition function in the T-P grand canonical ensemble Y(T,P,N) may be defined by the Laplace transform of the partition function Z(T,V,N) in the canonical ensemble. The Gibbs free energy is related with Y(T,P,N) by the Legendre transformation G(T,P,N) = −kT logY(T,P,N). The volume, enthalpy, entropy, and heat capacity are analytically expressed as functions of the intensive variables temperature and pressure. Some critical thermodynamic quantities for Xe are calculated and drawn. At the critical point the heat capacity diverges to infinity, while the Gibbs free energy, volume, enthalpy, and entropy are continuous. This suggests that a second-order phase transition may occur at the critical point.

Sign in / Sign up

Export Citation Format

Share Document