Results 31 to 40 of about 553,645 (206)

COSMO-RS prediction for pressure effect on CO₂ solubility of amine-based DESs.

, 2023
COSMO-RS prediction for pressure effect on CO2 solubility of amine-based DESs.
Mohamed K. Hadj-Kali (2885051), Salim Mokraoui (16436550), Hossam K. Abdrabou (16436541), Emad Ali (2885063), Mohammad Abu Zahra (16436547), Inas AlNashef (16436544)   +5 more
core   +1 more source

Experimental Determination and Computational Prediction of Dehydroabietic Acid Solubility in (−)-α-Pinene + (−)-β-Caryophyllene + P-Cymene System

Molecules, 2022
The solubility of dehydroabietic acid in (−)-α-pinene, p-cymene, (−)-β-caryophyllene, (−)-α-pinene + p-cymene, (−)-β-caryophyllene + p-cymene and (−)-α-pinene + (−)-β-caryophyllene were determined using the laser monitoring method at atmospheric pressure.
Yanmin Qin, Xiaopeng Chen, Linlin Wang, Xiaojie Wei, Weijian Nong, Xuejuan Wei, Jiezhen Liang   +6 more
doaj   +1 more source

Studies on the Prediction and Extraction of Methanol and Dimethyl Carbonate by Hydroxyl Ammonium Ionic Liquids

Molecules, 2023
The separation of dimethyl carbonate (DMC) and methanol is of great significance in industry. In this study, ionic liquids (ILs) were employed as extractants for the efficient separation of methanol from DMC.
Xiaokang Wang, Yuanyuan Cui, Yingying Song, Yifan Liu, Junping Zhang, Songsong Chen, Li Dong, Xiangping Zhang   +7 more
doaj   +1 more source

Membrane-assisted extraction of monoterpenes: from in silico solvent screening towards biotechnological process application [PDF]

Royal Society Open Science, 2018
This work focuses on the process development of membrane-assisted solvent extraction of hydrophobic compounds such as monoterpenes. Beginning with the choice of suitable solvents, quantum chemical calculations with the simulation tool COSMO-RS were ...
L. Janoschek, L. Grozdev, S. Berensmeier   +2 more
doaj   +1 more source

Validation of the COSMO-RS Method:  Six Binary Systems [PDF]

Industrial & Engineering Chemistry Research, 2001
COSMO-RS, a general, very fast, and easy-to-use methodology for the a priori prediction of thermodynamic data of liquids, is applied to six binary mixtures for which recent accurate experimental va...
Eckert, Frank, Klamt, Andreas
openaire   +2 more sources

Computational studies of ionic liquids as co-catalyst for CO2 electrochemical reduction to produce syngas using COSMO-RS [PDF]

E3S Web of Conferences, 2021
Transforming carbon dioxide (CO2) into value-added products through electrochemical reduction reaction (CO2ERR) is a promising technique due to its potential advantages using renewable energy.
Mohammed Sulafa Abdalmageed Saadaldeen, Yahya Wan Zaireen Nisa, Bustam Mohamad Azmi   +2 more
doaj   +1 more source

A predictive PC-SAFT EOS based on COSMO for pharmaceutical compounds

Scientific Reports, 2021
The present study was conducted to develop a predictive type of PC-SAFT EOS by incorporating the COSMO computations. With the proposed model, the physical adjustable inputs to PC-SAFT EOS were determined from the suggested correlations with dependency to
Samane Zarei Mahmoudabadi, Gholamreza Pazuki   +1 more
doaj   +1 more source

A theoretical and experimental study of liquid-liquid equilibrium to refine raw glycerol obtained as a byproduct on the biodiesel production

Chemical Engineering Journal Advances, 2022
Getting high purity glycerol at a low cost from biodiesel (methylricinoleate) production is of great economic interest. Therefore, exist several strategies for raw glycerol purification. Some involve liquid-liquid extraction steps using ether, toluene, n-
J.Mendieta López, F.J.Pérez Flores, E.Castillo Rosales, E.Ortiz Muñoz, S. Hernández-Anzaldo, H.Vázquez Lima, Y.Reyes Ortega   +6 more
doaj   +1 more source

Experimental and Theoretical Study on Theobromine Solubility Enhancement in Binary Aqueous Solutions and Ternary Designed Solvents

Pharmaceutics, 2021
The solubility of theobromine was studied both experimentally and theoretically. The solubility was determined spectrophotometrically at 25 °C in neat organic solvents, aqueous binary mixtures, Natural Deep Eutectic Solvents (NADES) and ternary NADES ...
Tomasz Jeliński, Dawid Stasiak, Tomasz Kosmalski, Piotr Cysewski   +3 more
doaj   +1 more source

Tailor-made solvents for pharmaceutical use? Experimental and computational approach for determining solubility in deep eutectic solvents (DES)

International Journal of Pharmaceutics: X, 2019
A deep eutectic solvent (DES) is a mixture of two or more chemicals that interact via hydrogen bonding and has a melting point far below that of the individual components.
Henrik Palmelund, Martin P. Andersson, Camilla J. Asgreen, Ben J. Boyd, Jukka Rantanen, Korbinian Löbmann   +5 more
doaj   +1 more source