Combination rules for intermolecular potential parameters. II. Rules based on approximations for the long‐range dispersion energy and an atomic distortion model for the repulsive interactions.

1982 ◽  
Vol 76 (1) ◽  
pp. 333-339 ◽  
Author(s):  
M. Diaz Peña ◽  
C. Pando ◽  
J. A. R. Renuncio
Keyword(s):  
Long Range ◽  
Intermolecular Potential ◽  
Dispersion Energy ◽  
Combination Rules ◽  
Distortion Model ◽  
Repulsive Interactions ◽  
Potential Parameters

scholarly journals Intermolecular potential parameters and combining rules determined from viscosity data

2010 ◽  
Vol 42 (12) ◽  
pp. 713-723 ◽  
Author(s):  
Lucas A. J. Bastien ◽  
Phillip N. Price ◽  
Nancy J. Brown
Keyword(s):  
Intermolecular Potential ◽  
Viscosity Data ◽  
Potential Parameters

Role of Long-Range Repulsive Interactions in Two-Dimensional Colloidal Aggregation:  Experiments and Simulations

Langmuir ◽  
2002 ◽  
Vol 18 (24) ◽  
pp. 9183-9191 ◽  
Author(s):  
A. Moncho-Jordá ◽  
F. Martínez-López ◽  
A. E. González ◽  
R. Hidalgo-Álvarez
Keyword(s):  
Long Range ◽  
Two Dimensional ◽  
Colloidal Aggregation ◽  
Repulsive Interactions

Spectra of H2–Ar, H2–Kr, and H2–Xe Van der Waals Complexes in Pressure-Induced Infrared Absorption

1971 ◽  
Vol 49 (2) ◽  
pp. 230-242 ◽  
Author(s):  
A. K. Kudian ◽  
H. L. Welsh
Keyword(s):  
Infrared Absorption ◽  
Path Length ◽  
Vibrational State ◽  
Van Der Waals ◽  
Rotational Quantum Number ◽  
Van Der Waals Complexes ◽  
Intermolecular Potential ◽  
Combination Rules ◽  
Ground Vibrational State ◽  
Lennard Jones

Spectra of H2–Ar, H2–Kr, and H2–Xe Van der Waals complexes, accompanying the Q1(0), Q1(1), S1(0), and S1(1) transitions of the pressure-induced fundamental infrared absorption band of hydrogen, have been studied in gas mixtures at 93–180 °K with a path length of 13 m and total pressures of ~3 atm. The main features of the spectra correspond to rotational transitions in the ground vibrational state of the complex, i.e., resolved T and N lines (Δl = ± 3) and unresolved R and P lines (Δl = ± 1), where l is the rotational quantum number of the complex. The spectra are analyzed with eigenvalues derived from the wave-mechanical solution of the isotropic Lennard–Jones 12–6 potential with constants determined from the combination rules for mixed molecular species. Although there is good overall agreement, it is evident that finer details of the spectra will require the introduction of an anisotropic intermolecular potential for their explanation.

Intermolecular potentials from NMR data: H2–N2O and H2–CO2

1983 ◽  
Vol 61 (5) ◽  
pp. 664-670 ◽  
Author(s):  
Lakshman Pandey ◽  
C. P. K. Reddy ◽  
K. Lalita Sarkar
Keyword(s):  
Relaxation Times ◽  
Lattice Relaxation ◽  
Proton Spin ◽  
Spin Lattice Relaxation ◽  
Intermolecular Potential ◽  
Quadrupole Moments ◽  
Spin Lattice ◽  
Lennard Jones ◽  
Nmr Data ◽  
Potential Parameters

Proton spin-lattice relaxation times T1 were measured in mixtures of H2 with N2O as a function of density, composition, and temperature (200–400 K) in the region where [Formula: see text]. These data, along with the data obtained by Lalita and Bloom for H2–CO2, were interpreted, using Bloom–Oppenheim theory, to obtain the anisotropic intermoleeular potential parameters. Two models, (i) the Lennard–Jones (12–6) potential (LJP) and (ii) the modified Buckingham (exp-6) potential (MBP), were used to represent the isotropic part of the intermolecular potential. The relative anisotropy in the attractive r−6 term and the quadrupole moments of N2O and CO2 as obtained from MBP model are in better agreement with the values obtained from the polarizability data and the reported values, respectively, than those obtained from the LJP model.

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