Keyword search (4,163 papers available)

"De Visscher A" Authored Publications:

Title Authors PubMed ID
1 Two Chemical Engineers Look at the COVID-19 Pandemic De Visscher A; Pinheiro Patrício PC; 35942051
ENCS
2 Experimental and numerical study of steady state stability in a toluene biodegrading biofilter Süß M; De Visscher A; 35869120
ENCS
3 The effect of biogas ebullition on ammonia emissions from animal manure-processing lagoons Weaver KH; Harper LA; De Visscher A; van Cleemput O; 35477174
ENCS
4 The COVID-19 pandemic: model-based evaluation of non-pharmaceutical interventions and prognoses. De Visscher A 32836820
ENCS
5 Effect of diffusion limitation and substrate inhibition on steady states of a biofilm reactor treating a single pollutant. Süß M, De Visscher A 31290732
ENCS
6 Comparison of Electronic and Physicochemical Properties between Imidazolium-Based and Pyridinium-Based Ionic Liquids. Wu C, De Visscher A, Gates ID 29889524
ENCS

 

Title:Comparison of Electronic and Physicochemical Properties between Imidazolium-Based and Pyridinium-Based Ionic Liquids.
Authors:Wu C,  De Visscher A,  Gates ID
Link:https://www.ncbi.nlm.nih.gov/pubmed/29889524?dopt=Abstract
Publication:
Keywords:
PMID:29889524 Category:J Phys Chem B Date Added:2019-06-04
Dept Affiliation: ENCS
1 Department of Chemical and Petroleum Engineering, Schulich School of Engineering , University of Calgary , Calgary , Alberta , Canada T2N 1N4.
2 Department of Chemical and Materials Engineering, Faculty of Engineering and Computer Science , Concordia University , Montreal , Quebec , Canada H3G 1M8.

Description:

Comparison of Electronic and Physicochemical Properties between Imidazolium-Based and Pyridinium-Based Ionic Liquids.

J Phys Chem B. 2018 07 05;122(26):6771-6780

Authors: Wu C, De Visscher A, Gates ID

Abstract

To compare 1-butyl-3-methylimidazolium ([BMIM]+)- and 1-butyl-3-methylpyridinium ([BMPy]+)-based ionic liquids (ILs) and investigate the influence of intramolecular and intermolecular interactions on physicochemical properties, a systematic study was performed on the electronic structures and physicochemical properties of [BMIM]+ tetrafluoroborate ([BMIM][BF4]), [BMIM]+ hexafluorophosphate ([BMIM][PF6]), [BMIM]+ hydrogen sulfate ([BMIM][HSO4]), [BMIM]+ methylsulfate ([BMIM][MSO4]), [BMIM]+ ethylsulfate ([BMIM][ESO4]), [BMPy]+ tetrafluoroborate ([BMPy][BF4]), [BMPy]+ hexafluorophosphate ([BMPy][PF6]), [BMPy]+ hydrogen sulfate ([BMPy][HSO4]), [BMPy]+ methylsulfate ([BMPy][MSO4]), and [BMPy]+ ethylsulfate ([BMPy][ESO4]) using density functional theory and molecular dynamics simulation. The results reveal that aggregation behavior exists in [HSO4]-- and [ESO4]--based ILs, and the differences between their densities and self-diffusion coefficients are smaller when there is an aggregation effect in ILs. A dimer is formed by two strong hydrogen bonds between two [HSO4]- anions in [HSO4]-based ILs, and the existence of hydrogen bonds in ILs increases density and decreases the self-diffusion coefficient. The intermolecular interaction strength of [BMIM]+-based ILs is stronger than that of [BMPy]+-based ILs.

PMID: 29889524 [PubMed]




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