scholarly journals Solution structure of propane and propene dissolved in the ionic liquid 1-butyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}imide from neutron diffraction with H/D substitution and empirical potential structure refinement modelling

2019 ◽  
Vol 117 (22) ◽  
pp. 3364-3375
Author(s):  
Leila Moura ◽  
Mark Gilmore ◽  
Samantha K. Callear ◽  
Tristan G. A. Youngs ◽  
John D. Holbrey
Keyword(s):  
Ionic Liquid ◽  
Neutron Diffraction ◽  
Solution Structure ◽  
Structure Refinement ◽  
Empirical Potential ◽  
Potential Structure

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.

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.

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)....

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