Electric field-gradient contributions to the chemical shifts of liquid water
نویسندگان
چکیده
Contributions to the gas-to-liquid chemical shifts of water arising from the electric field gradient of the surrounding molecules have been calculated as a function of the temperature. Since the theoretical model is based on perturbation theory, this part of the chemical shift may be calculated from quadrupole shielding polarizabilities and statistical mechanical ensemble averages of external electric field-gradients. The contributions from the electric field gradients are found to be substantial and are calculated to 29.7 ppm for the oxygen shift and 0.7 ppm for the proton shift at room temperature. © 1997 American Institute of Physics. @S0021-9606~97!01320-2#
منابع مشابه
Numerical Study of Electro-thermo-convection in a Differentially Heated Cavity Filled with a Dielectric Liquid Subjected to Partial Unipolar Injection
The Coulomb force applied by an electric field on any charge present in a dielectric liquid may cause fluid motion. At high applied electric fields in an insulating liquid, electric charge carriers are created at metallic/liquid interfaces, a process referred to as ion injection, and result from electrochemical reactions. In this article we deals with the problem of electro thermal convection i...
متن کاملAn Artificial Neural Network Model for Predicting the Pressure Gradient in Horizontal Oil–Water Separated Flow
In this study, a three–layer artificial neural network (ANN) model was developed to predict the pressure gradient in horizontal liquid–liquid separated flow. A total of 455 data points were collected from 13 data sources to develop the ANN model. Superficial velocities, viscosity ratio and density ratio of oil to water, and roughness and inner diameter of pipe were used as input parameters of ...
متن کاملElectroresponsive Acrylic Gels
This articles is comprised of two parts: a) an experimental investigation on the behavior of an acrylic gel under DC electric field and b) a physico - mathematical description.a) Gel rods made of poly [acrylamide-co-bisacrylamide] were partially hydrolyzed to different extents at pH 12 by teteramethylethylene diamine. Equlibrium properties of the resulting gels rods (water content,...
متن کاملAn Artificial Neural Network Model for Predicting the Pressure Gradient in Horizontal Oil–Water Separated Flow
In this study, a three–layer artificial neural network (ANN) model was developed to predict the pressure gradient in horizontal liquid–liquid separated flow. A total of 455 data points were collected from 13 data sources to develop the ANN model. Superficial velocities, viscosity ratio and density ratio of oil to water, and roughness and inner diameter of pipe were used as input parameters of ...
متن کاملThe total molecular dipole moment for liquid water
For the water molecule, the dipole is the first nonzero multipole moment; it represents the polarity of the molecule and has been widely used in describing solvation behavior. A rather wide range of theoretically determined values for the total molecular dipole moment of water in condensed phases has been reported in the literature. This paper describes a means by which the average total dipole...
متن کامل