A molecular contact theory for simulating polarization: application to dielectric constant prediction

Contacts between molecular surfaces give good insight to local polarization and predict dielectric constant for both pure liquids and binary mixtures with ∼20% error, leading to new perspectives of efficient rationalization of electrolyte solutions.

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ChemInform Abstract: THERMODYNAMIC AND PHYSICAL BEHAVIOUR OF BINARY MIXTURES INVOLVING SULFOLANE, VISCOSITY, DIELECTRIC CONSTANT AND SOLID + LIQUID PHASE DIAGRAM OF MIXTURES OF DIOXANE + SULFOLANE

Chemischer Informationsdienst ◽

10.1002/chin.197515096 ◽

1975 ◽

Vol 6 (15) ◽

Author(s):

LILIANA JANNELLI ◽

AMERICO INGLESE ◽

ANTONIO SACCO ◽

PIETRO CIANI

Keyword(s):

Phase Diagram ◽

Dielectric Constant ◽

Liquid Phase ◽

Binary Mixtures ◽

Physical Behaviour ◽

Solid Liquid

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Incorporating a concentration-dependent dielectric constant into ePC-SAFT. An application to binary mixtures containing ionic liquids

Fluid Phase Equilibria ◽

10.1016/j.fluid.2019.03.010 ◽

2019 ◽

Vol 492 ◽

pp. 26-33 ◽

Cited By ~ 16

Author(s):

Mark Bülow ◽

Xiaoyan Ji ◽

Christoph Held

Keyword(s):

Dielectric Constant ◽

Ionic Liquids ◽

Binary Mixtures

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New handy relationship between the conductivity of concentrated nonaqueous electrolyte solutions and the dielectric constant and viscosity of the solvents

Journal of Power Sources ◽

10.1016/s0378-7753(01)00996-x ◽

2002 ◽

Vol 107 (1) ◽

pp. 80-89 ◽

Cited By ~ 15

Author(s):

Guillaume Herlem ◽

Pierre Tran-Van ◽

Pascal Marque ◽

Sébastien Fantini ◽

Jean-François Penneau ◽

...

Keyword(s):

Dielectric Constant ◽

Electrolyte Solutions ◽

Nonaqueous Electrolyte ◽

Nonaqueous Electrolyte Solutions

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Relation of water activity to the static dielectric constant of concentrated electrolyte solutions

Doklady Physical Chemistry ◽

10.1134/s0012501607050077 ◽

2007 ◽

Vol 414 (1) ◽

pp. 120-122 ◽

Cited By ~ 1

Author(s):

A. K. Lyashchenko ◽

I. M. Karataeva

Keyword(s):

Dielectric Constant ◽

Water Activity ◽

Electrolyte Solutions ◽

Static Dielectric Constant ◽

Concentrated Electrolyte Solutions

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Corresponding states for electrolyte solutions

Pure and Applied Chemistry ◽

10.1351/pac200173111733 ◽

2001 ◽

Vol 73 (11) ◽

pp. 1733-1748 ◽

Cited By ~ 13

Author(s):

Hermann Weingärtner

Keyword(s):

Dielectric Constant ◽

Electrical Conductance ◽

Electrolyte Solutions ◽

Corresponding States ◽

Phase Separations ◽

Ion Clusters ◽

Low Dielectric ◽

Singly Charged ◽

Charged Ions ◽

Fused Salt

The equilibrium properties of electrolyte solutions over wide ranges of concentration, temperature, and solvent dielectric constant are discussed on a corresponding-states basis. If low-melting salts are used, these properties can be studied up to the pure fused salt. We mainly focus on systems at low reduced temperature, where the depth of the interaction potential is large compared with the thermal energy. Examples are singly charged ions in solvents of low dielectric constant and of highly charged ions in water. The state of the ions is discussed on the basis of thermodynamic, electrical conductance and dielectric constant data. Special attention is given to the transition to the fused salt, where ion clusters have to redissociate to form the dissociated structure of the salt. This transition can lead to liquidliquid phase separations. The resulting critical points serve as important targets for testing theories. Examples are given for large deviations from corresponding-states behavior caused by specific short-range interactions.

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