Accounting for the unique, doubly dual nature of ionic liquids from a molecular thermodynamic and modeling standpoint

Article Abstract:

A study to examine the thermophysical behavior of ionic liquid-containing systems is conducted. Findings reveal the doubly dual nature of ionic liquids and the existence of cations and anions forming high- and low-charge density regions.

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Atomistic simulation of the thermodynamic and transport properties of ionic liquids

Article Abstract:

The thermodynamic and transport properties of ionic liquids (ILs) are examined with the help of atomistic simulations. Results suggest high accuracy in obtaining density and compressibility of ILs.

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Simulations of ionic liquids, solutions, and surfaces

Article Abstract:

The effects of modifying features of the force field and their effects on the properties of the liquid are discussed.

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