Thermodynamic Properties and Frequency Shifts of Some Molecular Adducts of Antimony Pentachloride and Molecules Containing the Carbonyl Group.

We investigate the thermodynamic properties of a trapped Bose gas of Rb atoms interacting through a repulsive potential at low but finite temperature (kBT < μ < Tc) by Quantum Monte Carlo method based upon the generalization of Feynman-Kac method1-3 applicable to many-body systems at T=0 to finite temperatures. In this paper, we report temperature variation of condensation fraction, chemical potential, density profile, total energy of the system, release energy, frequency shifts and moment of inertia within the realistic potential model (Morse type) for the first time by diffusion Monte Carlo technique. The most remarkable success was in achieving the same trend in the temperature variation of frequency shifts as was observed in JILA4 for both m=2 and m=0 modes. For other things, we agree with the work of Giorgini et al.,5 Pitaevskii et al.6 and Krauth.7

Download Full-text

Concerted conformational exchange processes in molecular adducts of antimony pentachloride and N,N′-alkylureas

Tetrahedron ◽

10.1016/s0040-4020(01)98166-9 ◽

1971 ◽

Vol 27 (19) ◽

pp. 4583-4591 ◽

Cited By ~ 6

Author(s):

G. Olofsson ◽

P. Stilbs ◽

T. Drakenberg ◽

S. Forsén

Keyword(s):

Conformational Exchange ◽

Antimony Pentachloride ◽

Exchange Processes ◽

Molecular Adducts

Download Full-text

First-principles Calculations of Phonon and Thermodynamic Properties of Hydrogen Storage α-LaNi5H

MRS Proceedings ◽

10.1557/proc-1216-w03-01 ◽

2009 ◽

Vol 1216 ◽

Cited By ~ 1

Author(s):

Shigeki Saito ◽

Masahiko Katagiri ◽

Vasileios Tserolas ◽

Jun Nakamura ◽

Hidehiro Onodera ◽

...

Keyword(s):

Thermodynamic Properties ◽

Hydrogen Storage ◽

Thermodynamic Stability ◽

First Principles ◽

Storage Space ◽

First Principles Calculations ◽

Potential Surfaces ◽

Frequency Shifts ◽

Supercell Model ◽

Interstitial Hydrogen

AbstractThe phonon distribution of hydrogen storage α-LaNi5H with 4h, 6m, 12n, and 12o interstitial hydrogen was calculated by using first-principles potential surfaces with a 2×2×2 supercell model in order to investigate structural and thermodynamic properties. Frequency shifts due to the phonon contribution from the internal energies of 12n < 6m < 12o < 4h appeared in specific modes originating from interstitial hydrogen and in the upper-edge modes with nickel-lattice motion. The thermodynamic stability of 12n interstitial hydrogen in α-LaNi5H due to the wide XZ storage space can be explained by its phonon amplitudes and the charge density around nickel-bonded hydrogen.

Download Full-text

Models of Thermodynamic Properties of Prominences

International Astronomical Union Colloquium ◽

10.1017/s0252921100065799 ◽

1979 ◽

Vol 44 ◽

pp. 349-355

Author(s):

R.W. Milkey

Keyword(s):

Thermodynamic Properties ◽

Mass Transport ◽

Emission Spectrum ◽

Thermodynamic Parameters ◽

Working Group ◽

Physical Processes ◽

Theoretical Concepts ◽

Group 3 ◽

Observational Techniques

The focus of discussion in Working Group 3 was on the Thermodynamic Properties as determined spectroscopically, including the observational techniques and the theoretical modeling of physical processes responsible for the emission spectrum. Recent advances in observational techniques and theoretical concepts make this discussion particularly timely. It is wise to remember that the determination of thermodynamic parameters is not an end in itself and that these are interesting chiefly for what they can tell us about the energetics and mass transport in prominences.

Download Full-text