In silico COSMO-RS predictive screening of ionic liquids for the dissolution of plastic
Plastic waste is currently produced at an alarmingly high rate, nearing 400 Mt per year. The
accumulation of plastics in the environment is growing rapidly, yet our knowledge of their …
accumulation of plastics in the environment is growing rapidly, yet our knowledge of their …
Relation between differential solubility of cellulose and lignin in ionic liquids and activity coefficients
In this work, the excess enthalpies and activity coefficients were evaluated as reference
parameters of the solubility of cellulose and lignin in ionic liquids (ILs) using COSMO-RS …
parameters of the solubility of cellulose and lignin in ionic liquids (ILs) using COSMO-RS …
Computer-aided design of ionic liquids for high cellulose dissolution
NL Mai, YM Koo - ACS Sustainable Chemistry & Engineering, 2016 - ACS Publications
Ionic liquids (ILs), molten salts that are liquid at room temperature, are considered as a
potential green replacement for toxic volatile organic compounds in many applications …
potential green replacement for toxic volatile organic compounds in many applications …
Multiscale molecular simulations for the solvation of lignin in ionic liquids
Lignin, the second most abundant biopolymer found in nature, has emerged as a potential
source of sustainable fuels, chemicals, and materials. Finding suitable solvents, as well as …
source of sustainable fuels, chemicals, and materials. Finding suitable solvents, as well as …
Are ionic liquids eco-friendly?
SS de Jesus, R Maciel Filho - Renewable and Sustainable Energy …, 2022 - Elsevier
Ionic liquids are molten salts that have excellent chemical and thermal stability. Because
they have qualities inherent to some precepts of green chemistry, they are identified as a …
they have qualities inherent to some precepts of green chemistry, they are identified as a …
Screening of ionic liquids as sustainable greener solvents for the capture of greenhouse gases using COSMO-RS approach: Computational study
As the world's population, urbanization, and industrialization grow, so does the production of
greenhouse gases (GHGs). Considering the harmful impact of these gases on the …
greenhouse gases (GHGs). Considering the harmful impact of these gases on the …
An overview of mutual solubility of ionic liquids and water predicted by COSMO-RS
T Zhou, L Chen, Y Ye, L Chen, Z Qi… - Industrial & …, 2012 - ACS Publications
To properly screen and use ionic liquids (ILs) as environmental-friendly solvents in chemical
reactors and separation processes, the knowledge of their solubilities with water is essential …
reactors and separation processes, the knowledge of their solubilities with water is essential …
Predictive screening of ionic liquids for dissolving cellulose and experimental verification
In this work, 357 ionic liquids (ILs) formed from 17 cations and 21 anions were selected for
evaluation of their ability to dissolve cellulose by COSMO-RS. In order to evaluate the …
evaluation of their ability to dissolve cellulose by COSMO-RS. In order to evaluate the …
Systematic method for screening ionic liquids as extraction solvents exemplified by an extractive desulfurization process
For the selection of industrially suitable ionic liquids (ILs) as extraction solvents, a systematic
method combining phase equilibrium calculation, physical property prediction, and process …
method combining phase equilibrium calculation, physical property prediction, and process …
Tuning ionic liquids for natural gas dehydration using COSMO-RS methodology
The quantum chemical COSMO-RS (Conductor like Screening Model for Real Solvents)
methodology was applied to evaluate the ability ionic liquids as alternative solvents for …
methodology was applied to evaluate the ability ionic liquids as alternative solvents for …
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