Theoretical Study of the Microsolvation of the Bromide Anion in Water, Methanol, and Acetonitrile:  Ion−Solvent vs Solvent−Solvent Interactions

2000 ◽  
Vol 104 (12) ◽  
pp. 2799-2807 ◽  
Author(s):  
Regla Ayala ◽  
José M. Martínez ◽  
Rafael R. Pappalardo ◽  
Enrique Sánchez Marcos
Keyword(s):  
Theoretical Study ◽  
Solvent Interactions ◽  
Bromide Anion ◽  
Solvent Solvent

Cation−Solvent, Cation−Anion, and Solvent−Solvent Interactions with Electrolyte Solvation in Lithium Batteries

2019 ◽  
Vol 2 (2) ◽  
pp. 128-131 ◽  
Author(s):  
Xiang Chen ◽  
Xue-Qiang Zhang ◽  
Hao-Ran Li ◽  
Qiang Zhang
Keyword(s):  
Lithium Batteries ◽  
Solvent Interactions ◽  
Solvent Solvent

Structural and conformational changes in [M(1,10-diaza-18-crown-6)Cl2] (M = Pd, Pb) complexes: a crystallographic and theoretical study

CrystEngComm ◽  
2018 ◽  
Vol 20 (42) ◽  
pp. 6733-6740 ◽  
Author(s):  
Antonino Arenaza-Corona ◽  
David Morales-Morales ◽  
Iran F. Hernández-Ahuactzi ◽  
Victor Barba
Keyword(s):  
Conformational Changes ◽  
Theoretical Study ◽  
Solvent System ◽  
Selection Of ◽  
Solvent Solvent

The appropriate selection of a given solvent/solvent system influences directly the molecular conformational structures of MLX2 complexes.

Modeling Gel Swelling in Binary Solvents: A Thermodynamic Approach to Explaining Cosolvency and Cononsolvency Effects

2019 ◽  
Vol 11 (05) ◽  
pp. 1950050 ◽  
Author(s):  
Rui Xiao ◽  
Jin Qian ◽  
Shaoxing Qu
Keyword(s):  
Lattice Model ◽  
Thermodynamic Theory ◽  
Binary Solvents ◽  
Thermodynamic Approach ◽  
Solvent Mixtures ◽  
Solvent Interactions ◽  
Equilibrium Swelling ◽  
Acceptable Agreement ◽  
Swelling Behaviors ◽  
Solvent Solvent

If gel swells in binary solvents, two unusual phenomena may appear. Two solvents with relatively low swelling ability may become a good solvent for the polymer with high swelling ability when mixed, which is known as a cosolvency effect. In contrast, a cononsolvency effect indicates polymer is less soluable in solvent mixtures than it is in each of the cosolvents. In this work, we develop a thermodynamic theory to describe the equilibrium swelling behaviors of gels in binary solvents based on the Flory–Huggins lattice model. The model can reproduce both cosolvency and cononsolvency effects, showing that these effects are caused by the preferential absorption of the solvent by polymer together with solvent–solvent interactions. The model is also applied to describe experimentally observed cosolvency and cononsolvency effects in the literature, which shows an acceptable agreement.

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