The structure of aqueous solutions of hexafluoro-iso-propanol studied by neutron diffraction with hydrogen/deuterium isotope substitution and empirical potential structure refinement modeling

2021 ◽  
Author(s):  
Koji Yoshida ◽  
Toshio Yamaguchi ◽  
Daniel T Bowron ◽  
John L Finney
Keyword(s):  
Neutron Diffraction ◽  
Aqueous Solutions ◽  
Mole Fraction ◽  
Room Temperature ◽  
Structure Refinement ◽  
Isotope Substitution ◽  
Empirical Potential ◽  
Potential Structure ◽  
Hydrogen Deuterium ◽  
Structure Of Aqueous Solutions

Neutron diffraction measurements are made at room temperature for seven H/D substituted hexafluoro-iso-propanol (HFIP; 1, 1, 1, 3, 3, 3-hexafluoro-2-propanol)-water mixtures at 0.1, 0.2, and 0.4 HFIP mole fraction (xHFIP)....

Structure of 2 molar NaOH in aqueous solution from neutron diffraction and empirical potential structure refinement

2006 ◽  
Vol 74 (9) ◽  
Author(s):  
Sylvia E. McLain ◽  
Silvia Imberti ◽  
Alan K. Soper ◽  
Alberto Botti ◽  
Fabio Bruni ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Neutron Diffraction ◽  
Structure Refinement ◽  
Empirical Potential ◽  
Potential Structure

scholarly journals Dissolved chloride markedly changes the nanostructure of the protic ionic liquids propylammonium and ethanolammonium nitrate

2016 ◽  
Vol 18 (26) ◽  
pp. 17169-17182 ◽  
Author(s):  
Thomas Murphy ◽  
Samantha K. Callear ◽  
Gregory G. Warr ◽  
Rob Atkin
Keyword(s):  
Ionic Liquids ◽  
Neutron Diffraction ◽  
Structure Refinement ◽  
Protic Ionic Liquids ◽  
Empirical Potential ◽  
Potential Structure

The bulk nanostructure of 15 mol% propylammonium chloride (PACl) dissolved in propylammonium nitrate (PAN) and 15 mol% ethanolammonium chloride (EtACl) in ethanolammonium nitrate (EtAN) has been determined using neutron diffraction with empirical potential structure refinement fits.

scholarly journals Bulk nanostructure of the prototypical ‘good’ and ‘poor’ solvate ionic liquids [Li(G4)][TFSI] and [Li(G4)][NO3]

2016 ◽  
Vol 18 (26) ◽  
pp. 17224-17236 ◽  
Author(s):  
Thomas Murphy ◽  
Sam K. Callear ◽  
Nageshwar Yepuri ◽  
Karina Shimizu ◽  
Masayoshi Watanabe ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Ionic Liquids ◽  
Neutron Diffraction ◽  
Structure Refinement ◽  
Empirical Potential ◽  
Potential Structure ◽  
Bulk Nanostructures

The bulk nanostructures of a prototypical ‘good’ solvate ionic liquid (SIL) and ‘poor’ SIL have been examined using neutron diffraction and empirical potential structure refinement (EPSR) simulated fits.

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