Specific Ion Solvation and Pairing Effects in Glycerol Carbonate

2021 ◽  
Author(s):  
Andrew E. Eisenhart ◽  
Thomas L. Beck
Keyword(s):  
Ion Solvation ◽  
Glycerol Carbonate

Ion solvation by dipolar aprotic solvents. An ab initio study

1987 ◽  
Vol 52 (1) ◽  
pp. 6-13 ◽  
Author(s):  
Petr Kyselka ◽  
Zdeněk Havlas ◽  
Ivo Sláma
Keyword(s):  
Ab Initio ◽  
Geometry Optimization ◽  
Molecular Structures ◽  
Dimethyl Sulphoxide ◽  
Ion Solvation ◽  
Interaction Energies ◽  
Ab Initio Study ◽  
Solvation Energies ◽  
Dipolar Aprotic Solvents ◽  
Complete Geometry Optimization

The paper deals with the solvation of Li+, Be2+, Na+, Mg2+, and Al3+ ions in dimethyl sulphoxide, dimethylformamide, acetonitrile, and water. The ab initio quantum chemical method was used to calculate the solvation energies, molecular structures, and charge distributions for the complexes water···ion, acetonitrile···ion, dimethyl sulphoxide···ion, and dimethylformamide···ion. The interaction energies were corrected for the superposition error. Complete geometry optimization was performed for the complex water···ion. Some generalizations are made on the basis of the results obtained.

scholarly journals Transferable Ion Force Fields in Water from a Simultaneous Optimization of Ion Solvation and Ion–Ion Interaction

2021 ◽  
Author(s):  
Philip Loche ◽  
Patrick Steinbrunner ◽  
Sean Friedowitz ◽  
Roland R. Netz ◽  
Douwe Jan Bonthuis
Keyword(s):  
Force Fields ◽  
Simultaneous Optimization ◽  
Ion Solvation

Organocatalytic and Halide-Free Synthesis of Glycerol Carbonate under Continuous Flow

2021 ◽  
Author(s):  
Nicola Zanda ◽  
Anna Sobolewska ◽  
Esther Alza ◽  
Arjan W. Kleij ◽  
Miquel A. Pericàs
Keyword(s):  
Continuous Flow ◽  
Glycerol Carbonate

Valorization of glycerol into glycerol carbonate using the stable heterogeneous catalyst of Li/MCM-41

2021 ◽  
pp. 126437
Author(s):  
Shivali Arora ◽  
Vijayalakshmi Gosu ◽  
U.K. Arun Kumar ◽  
Verraboina Subbaramaiah
Keyword(s):  
Heterogeneous Catalyst ◽  
Glycerol Carbonate ◽  
Mcm 41

Diversity-oriented synthesis of polymer membranes with ion solvation cages

Nature ◽  
2021 ◽  
Vol 592 (7853) ◽  
pp. 225-231
Author(s):  
Miranda J. Baran ◽  
Mark E. Carrington ◽  
Swagat Sahu ◽  
Artem Baskin ◽  
Junhua Song ◽  
...  
Keyword(s):  
Polymer Membranes ◽  
Ion Solvation ◽  
Diversity Oriented Synthesis

Model of Ion Solvation in Liquid Crystal Cells

1998 ◽  
Vol 37 (Part 2, No. 1A/B) ◽  
pp. L88-L90 ◽  
Author(s):  
Matthias Bremer ◽  
Shohei Naemura ◽  
Kazuaki Tarumi
Keyword(s):  
Liquid Crystal ◽  
Ion Solvation ◽  
Crystal Cells

Synthesis of glycerol carbonate from glycerol and urea over tin-tungsten mixed oxide catalysts

2014 ◽  
Vol 469 ◽  
pp. 165-172 ◽  
Author(s):  
K. Jagadeeswaraiah ◽  
Ch. Ramesh Kumar ◽  
P.S. Sai Prasad ◽  
S. Loridant ◽  
N. Lingaiah
Keyword(s):  
Mixed Oxide ◽  
Oxide Catalysts ◽  
Glycerol Carbonate ◽  
Mixed Oxide Catalysts
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