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The COVID-19 pandemic: model-based evaluation of non-pharmaceutical interventions and prognoses.

Author(s): De Visscher A

An epidemiological model for COVID-19 was developed and implemented in MATLAB/GNU Octave for use by public health practitioners, policy makers, and the general public. The model distinguishes four stages in the disease: infected, sick, seriously sick, and b...

Article GUID: 32836820
Effect of diffusion limitation and substrate inhibition on steady states of a biofilm reactor treating a single pollutant.

Author(s): Süß M, De Visscher A

J Air Waste Manag Assoc. 2019 Jul 10;: Authors: Süß M, De Visscher A

Article GUID: 31290732
Comparison of Electronic and Physicochemical Properties between Imidazolium-Based and Pyridinium-Based Ionic Liquids.

Author(s): Wu C, De Visscher A, Gates ID

J Phys Chem B. 2018 07 05;122(26):6771-6780 Authors: Wu C, De Visscher A, Gates ID

Article GUID: 29889524
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
Category:J Phys Chem B
PMID:29889524
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]