Continuum reaction field calculation of dielectric constant and vapor pressures for water and carbon disulfide

It is shown that the strong curvature in some plots of proton chemical shift σ versus the Onsager reaction field E can be removed by plotting the shifts of the solute molecule versus the square root of the dielectric constant of the medium. The resulting values of k in the equation σ = −kE cos θ are fairly consistent and reasonable in magnitude.

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Dielectric constant of the mixture (1) carbon disulfide; (2) phosphoric acid tributyl ester

Supplement to IV/6 - Landolt-Börnstein - Group IV Physical Chemistry ◽

10.1007/978-3-540-75506-7_317 ◽

2008 ◽

pp. 499-499

Author(s):

Ch. Wohlfarth

Keyword(s):

Dielectric Constant ◽

Phosphoric Acid ◽

Carbon Disulfide

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The Acetone – Acetic Anhydride – Carbon Disulfide System: Surface Tension, Viscosity, and Total and Partial Vapor Pressures

Canadian Journal of Chemistry ◽

10.1139/v71-357 ◽

1971 ◽

Vol 49 (13) ◽

pp. 2183-2192 ◽

Cited By ~ 6

Author(s):

A. N. Campbell ◽

E. M. Kartzmark ◽

S. C. Anand

Keyword(s):

Experimental Data ◽

Surface Tension ◽

Acetic Anhydride ◽

Carbon Disulfide ◽

Vapor Phase ◽

The Other ◽

Vapor Pressures ◽

Free Energies ◽

Vapor State ◽

Straight Line

The surface tensions, viscosities, and vapor pressures, total and partial, have been determined as functions of concentration for the following systems: (a) acetone – acetic anhydride; (b) acetone – carbon disulfide; (c) acetic anhydride – carbon disulfide; and (d) pseudo-binary mixtures of (a) and (b), whose compositions lie on a straight line tangential to the plait point of the ternary system.The general behavior of ideal and non-ideal systems, in regard to surface tension and viscosity is discussed. For the system acetone – carbon disulfide, whose vapor phase can be considered ideal, the activities, activity coefficients, excess free energies, enthalpies and entropies of mixing have been obtained from the vapor pressures. The vapor phase of the other three systems contains acetic anhydride which is associated in the vapor state, and for these systems the experimental data are reported without further calculation.

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Reaction field calculation of the spectral shifts of indole

The Journal of Physical Chemistry ◽

10.1021/j100120a009 ◽

1993 ◽

Vol 97 (18) ◽

pp. 4608-4613 ◽

Cited By ~ 14

Author(s):

C. F. Chabalowski ◽

D. R. Garmer ◽

J. O. Jensen ◽

M. Krauss

Keyword(s):

Field Calculation ◽

Reaction Field ◽

Spectral Shifts

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3-D Analytical Model of Armature Reaction Field Calculation for Ironless Axial Flux Permanent Maanet Motor

10.23919/icems52562.2021.9634578 ◽

2021 ◽

Author(s):

Yi Xie ◽

Zhaokai Li ◽

Xiaoyan Huang

Keyword(s):

Analytical Model ◽

Field Calculation ◽

Axial Flux ◽

Reaction Field ◽

Armature Reaction

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Dielectric properties of liquid phase molecular clusters using the external field method: molecular dynamics study

Physical Chemistry Chemical Physics ◽

10.1039/c4cp00716f ◽

2014 ◽

Vol 16 (27) ◽

pp. 13943-13947 ◽

Cited By ~ 5

Author(s):

Chathurika D. Abeyrathne ◽

Malka N. Halgamuge ◽

Peter M. Farrell ◽

Efstratios Skafidas

Keyword(s):

Molecular Dynamics ◽

Dielectric Constant ◽

Dielectric Properties ◽

Electric Fields ◽

Field Method ◽

Molecular Clusters ◽

Reaction Field ◽

External Electric Fields ◽

Properties Of Materials ◽

Dynamics Simulations

A method based on molecular dynamics simulations is presented to determine dielectric properties of materials under external electric fields without prior knowledge of their static dielectric constant, using reaction field approximations.

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