From the group statistical theory, and with a pseudochemical reaction mechanism, a new universal equation is proposed to calculate the dielectric constant for binary solutions. The simple form of the new model makes it convenient to use and all its parameters have obvious physical meanings. With thi
Density gradient proportionality constants for a number of aqueous binary solutions
β Scribed by James B. Ifft; William R. Martin III; Kathleen Kinzie
- Publisher
- Wiley (John Wiley & Sons)
- Year
- 1970
- Tongue
- English
- Weight
- 926 KB
- Volume
- 9
- Category
- Article
- ISSN
- 0006-3525
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β¦ Synopsis
Abstract
A computer program, based upon the method of Trautman, has been developed to calculate densityβgradient proportionality constants, Ξ²^0^, as a function of density for any salt for which density and activity coefficient data are available. Results are given for twenty 1:1 electrolytes at 25Β°C. These salts are the chlorides, bromides, iodides, and nitrates of the five alkali cations. The program is available for use for any other salt and for a variety of temperatures if the necessary data can be found or measured. Between six and eleven centrifuge runs at different densities were performed fur each of seven of these salts experimentally to determine Ξ²^0^. In general, the experimental and theoretical values agree within 3% except at the extremes of density. This demonstrates the validity of the computer program and is the first extensive demonstration that the thermodynamic calculation of density gradients is correct. Five new quadratic relationships between refractive index and density are given.
π SIMILAR VOLUMES
coordination numher model (CNM) has been developed that reproduces coordination numbers generated by rigorous Monte Carlo simulations of dilute aqueous solutions. The molecular coordination number is calculated by using the volume of the Voronoi polyhedron surrounding each solute atom and a set of l
## Abstract Although the two hydroxyl groups in 1,2βdiols interact as evidenced by NMR and IR spectroscopic shifts, electron density topological analysis has shown a bond critical point (BCP) and atomic bond path to be absent (Klein, R. A.; J Comp Chem 2002, 23, 585β599; J Am Chem Soc 2002, 124, 13