Results 41 to 50 of about 553,645 (206)

Methyl chloride dehydration with ionic liquid based on COSMO-RS model

Green Energy & Environment, 2021
A suitable ionic liquid for methyl chloride drying experiment was screened out from 210 ionic liquids by COSMO-RS model. Moreover, the experimental mechanism of ionic liquids drying is further explained by the COSMO-RS model, and it is further confirmed ...
Zhenhang Wang, Shengli Liu, Yifan Jiang, Zhigang Lei, Jie Zhang, Ruisong Zhu, Jiwen Ren   +6 more
doaj   +1 more source

Comparison of Predicted pKa Values for Some Amino-Acids, Dipeptides and Tripeptides, Using COSMO-RS, ChemAxon and ACD/Labs Methods Comparaison des valeurs de pKa de quelques acides aminés, dipeptides et tripeptides, prédites en utilisant les méthodes COSMO-RS, ChemAxon et ACD/Labs

Oil & Gas Science and Technology, 2013
Liquid-phase pKa values play a key role in food science. Chemical properties of molecules depend largely on whether they are ionized or not. Most organic molecules are capable of gaining and/or losing a proton in aqueous solutions.
Toure O., Dussap C.-G., Lebert A.
doaj   +1 more source

COSMO-RS Data

, 2018
All COSMO-RS data from COSMOtherm and COSMOconf is included in the COSMO-RS zip ...
Grozdev, Ljubomir, Janoschek, Lars, Berensmeier, Sonja, Sonja Berensmeier (1515184), Ljubomir Grozdev (5036912), Lars Janoschek (5036909)   +5 more
core   +1 more source

Prediction of Infinite Dilution Activity Coefficients Using COSMO-RS [PDF]

Industrial & Engineering Chemistry Research, 2003
Infinite dilution activity coefficients (IDACs) are important characteristics of mixtures because of their ability to predict operating behavior in distillation processes. Thermodynamic models are used to predict IDACs since experimental data can be difficult and costly to obtain. The models most often employed for predictive purposes are the “original
Putnam, R., Taylor, R., Klamt, A., Eckert, F., Schiller, M.   +4 more
openaire   +2 more sources

Study of the toluene absorption capacity and mechanism of ionic liquids using COSMO-RS prediction and experimental verification

Green Energy & Environment, 2021
As green solvents, ionic liquids (ILs) are quite suitable for the absorption of volatile organic compounds (VOCs) such as benzene and its homologues. However, solvent selection is the key to the VOC absorption process.
Chenglong Zhang, Jin Wu, Ruixue Wang, En Ma, Liang Wu, Jianfeng Bai, Jingwei Wang   +6 more
doaj   +1 more source

COSMO-RS in prescreening of Natural Eutectic Solvents for phenolic extraction from Teucrium chamaedrys

, 2023
Natural Eutectic Solvents (NES) are a promising class of environmentally friendly liquids that offer an alternative to conventional organic solvents. To investigate their potential for extracting phenolic compounds from plant materials, we employed the ...
Ilija Cvijetić, Jankov, Milica S., Trifković, Jelena, Petar Ristivojević, Milica Jankov, Milojković-Opsenica, Dušanka, Cvijetić, Ilija, Dušanka Milojković-Opsenica, Lazović, Mila Č., Ristivojević, Petar, Jelena Trifković, Mila Lazović   +11 more
core   +1 more source

Prediction of Infinite Dilution Activity Coefficients Using COSMO-RS

, 2016
Infinite dilution activity coefficients (IDACs) are important characteristics of mixtures because of their ability to predict operating behavior in distillation processes.
M. Schiller (2980506), A. Klamt (1661599), F. Eckert (2980509), R. Taylor (2402647), R. Putnam (2980503)   +4 more
core   +1 more source

COSMO-RS prediction and experimental verification of 1,5-pentanediamine extraction from aqueous solution by ionic liquids

Green Energy & Environment, 2021
1,5-Pentanediamine (PDA) produced by biological fermentation becomes popular, but the separation of PDA from the broth is a typical difficult problem. In this work, the performance of 200 ionic liquids (ILs), formed by combining 25 cations and 8 anions ...
Chenhao Jiang, Hongye Cheng, Zexian Qin, Ruizhuan Wang, Lifang Chen, Chen Yang, Zhiwen Qi, Xiucai Liu   +7 more
doaj   +1 more source

Predicting Partition Coefficients of Short-Chain Chlorinated Paraffin Congeners by COSMO-RS-Trained Fragment Contribution Models

, 2020
Chlorinated paraffins (CPs) are highly complex mixtures of polychlorinated n-alkanes with differing chain lengths and chlorination patterns. Knowledge on physicochemical properties of individual congeners is limited but needed to understand their ...
Satoshi, Endo, Jort, Hammer
core   +1 more source

Acidic Gases Solubility in Bis(2-Ethylhexyl) Sulfosuccinate Based Ionic Liquids Using the Predictive Thermodynamic Model

Membranes, 2020
To properly design ionic liquids (ILs) adopted for gases separation uses, a knowledge of ILs thermodynamic properties as well their solubilities with the gases is essential.
Amal Mechergui, Alsu I. Akhmetshina, Olga V. Kazarina, Maria E. Atlaskina, Anton N. Petukhov, Ilya V. Vorotyntsev   +5 more
doaj   +1 more source