The CO–Ne van der Waals complex: ab initio intermolecular potential energy, interaction induced electric dipole moment and polarizability surfaces, and second virial coefficients

2009 ◽  
Vol 11 (42) ◽  
pp. 9871 ◽  
Author(s):  
Angelika Baranowska ◽  
Berta Fernández ◽  
Antonio Rizzo ◽  
Branislav Jansík
Keyword(s):  
Dipole Moment ◽  
Potential Energy ◽  
Ab Initio ◽  
Electric Dipole Moment ◽  
Electric Dipole ◽  
Virial Coefficients ◽  
Intermolecular Potential ◽  
Second Virial Coefficients ◽  
Van Der Waals Complex ◽  
Energy Interaction

MODELING THERMOPHYSICAL PROPERTIES OF NOBLE GAS INVOLVED MIXTURES

2011 ◽  
Vol 08 (01) ◽  
pp. 19-39 ◽  
Author(s):  
MOHAMMAD MEHDI PAPARI ◽  
JALIL MOGHADASI ◽  
SOUDABEH NIKMANESH ◽  
ELHAM HOSSEINI ◽  
ALI BOUSHEHRI
Keyword(s):  
Thermal Conductivity ◽  
Potential Energy ◽  
Thermophysical Properties ◽  
Noble Gas ◽  
Pair Potential ◽  
Virial Coefficients ◽  
Model Potential ◽  
Intermolecular Potential ◽  
Inversion Method ◽  
Second Virial Coefficients

The present work involves in determining isotropic and effective pair potential energy of binary gas mixtures of Kr–Xe , Kr–C2H6 , Xe–C2H6 , Kr–C3H8 , and Xe–C3H8 from thermophysical properties consisting of viscosity and second virial coefficients through inversion method. Typically, the calculated intermolecular potential energy of Kr–Xe system has compared with HFD model potential reported in literature. A desirable harmony between our model potential and HFD model has been obtained. In order to assess the potential energies obtained, transport properties including viscosity, diffusion, thermal diffusion factor, and thermal conductivity of aforementioned mixtures were predicted using the calculated models potential. The deviation percentage of the calculated viscosity and thermal conductivity of above-mentioned mixtures from the literature values are, respectively, within ±2%, ±3%.

Microwave Spectra, Structure, and Electric Dipole Moment of the Ar-Isocyanic Acid van der Waals Complex

1995 ◽  
Vol 171 (2) ◽  
pp. 533-545 ◽  
Author(s):  
C.W. Boyce ◽  
C.W. Gillies ◽  
H. Warner ◽  
J.Z. Gillies ◽  
F.J. Lovas ◽  
...  
Keyword(s):  
Dipole Moment ◽  
Electric Dipole Moment ◽  
Electric Dipole ◽  
Van Der Waals ◽  
Isocyanic Acid ◽  
Van Der Waals Complex ◽  
Microwave Spectra
Sign in / Sign up

Export Citation Format

Share Document