Solvatochromic dipolarity micro-sensor behaviour in binary solvent systems of the (water + ionic liquid) type: application of preferential solvation model and linear solvation energy relationships

2014 ◽  
Vol 27 (11) ◽  
pp. 841-849 ◽  
Author(s):  
Claudia G. Adam ◽  
M. Virginia Bravo ◽  
Pedro M. E. Mancini ◽  
Graciela G. Fortunato
Keyword(s):  
Preferential Solvation ◽  
Binary Solvent ◽  
Linear Solvation Energy Relationships ◽  
Solvation Model ◽  
Micro Sensor ◽  
Energy Relationships ◽  
Linear Solvation Energy ◽  
Binary Solvent Systems ◽  
Solvent Systems ◽  
Liquid Type

Computational Parameters in Correlation Analysis: Gas-Water Distribution Coefficient

1999 ◽  
Vol 64 (11) ◽  
pp. 1727-1747 ◽  
Author(s):  
George R. Famini ◽  
Dalia Benyamin ◽  
Christina Kim ◽  
Rattiporn Veerawat ◽  
Leland Y. Wilson
Keyword(s):  
Correlation Analysis ◽  
Distribution Coefficient ◽  
Water Distribution ◽  
Solvation Energy ◽  
Linear Solvation Energy Relationships ◽  
Linear Solvation Energy Relationship ◽  
Energy Relationships ◽  
Linear Solvation Energy ◽  
Water Equilibrium ◽  
Linear Solvation

Theoretical linear solvation energy relationships (TLSER) combine computational molecular parameters with the linear solvation energy relationship (LSER) of Kamlet and Taft to characterize and predict properties of compounds. This paper examines the correlation of the gas-water equilibrium constant for 423 compounds with the TLSER parameters. Also, it describes new parameters designed to improve the TLSER information content.

Measurement and Correlation for Solubility of Myo-inositol in Five Pure and Four Binary Solvent Systems

2021 ◽  
Author(s):  
Ying Guo ◽  
Hui He ◽  
Haishuang Huang ◽  
Jingxuan Qiu ◽  
Jiaming Han ◽  
...  
Keyword(s):  
Binary Solvent ◽  
Binary Solvent Systems ◽  
Solvent Systems

Effect of modification of binary solvent molecules on ε-CL-20 crystal morphology: a molecular dynamics study

CrystEngComm ◽  
2021 ◽  
Author(s):  
Yanpeng Zhao ◽  
Guanwen Su ◽  
Guozhao Liu ◽  
Hongyuan Wei ◽  
Leping Dang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Crystal Morphology ◽  
Dynamics Simulation ◽  
Binary Solvent ◽  
Binary Solvent Systems ◽  
Solvent Systems ◽  
Solvent Molecules

The effects of thirteen binary solvent systems on the growth of CL-20 were studied by molecular dynamics simulation, and the effect of antisolvent properties on the solvent inhibition was systematically investigated.

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