Combined Experimental and Theoretical Study on High Pressure Methane Solubility in Natural Deep Eutectic Solvents

2019 ◽  
Vol 58 (19) ◽  
pp. 8097-8111 ◽  
Author(s):  
Tausif Altamash ◽  
Abdulkarem I. Amhamed ◽  
Santiago Aparicio ◽  
Mert Atilhan
Pharmaceutics ◽  
2021 ◽  
Vol 13 (8) ◽  
pp. 1118
Author(s):  
Tomasz Jeliński ◽  
Dawid Stasiak ◽  
Tomasz Kosmalski ◽  
Piotr Cysewski

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 mixtures with water. It was found that addition of water in unimolar proportions with some organic solvents increases theobromine solubility compared to neat solvents. Additionally, using NADES results in a solubility increase of the studied compound not only in relation to water but also DMSO. The addition of water (0.2 molar fraction) to NADES is responsible for an even larger increase of solubility. The measured solubilities were interpreted in terms of three theoretical frameworks. The first one—belonging to the set of data reduction techniques—proved to be very efficient in quantitative back-computations of excess solubility of theobromine in all studied systems. The default approach utilizing the well-recognized COSMO-RS (Conductor-like Screening Model for Real Solvents) framework offered at most a qualitative solubility description. The extended search for possible contacts provided evidence for the existence of many intermolecular complexes that alter the electron density of the solute molecule, thus influencing solubility computations. Taking into account such intermolecular contacts by using the COSMO-RS-DARE (Conductor-like Screening Model for Realistic Solvation-Dimerization, Aggregation, and Reaction Extension) framework seriously increased the accuracy of solubility computations.


2020 ◽  
Vol 0 (0) ◽  
Author(s):  
Ana Bjelić ◽  
Brigita Hočevar ◽  
Miha Grilc ◽  
Uroš Novak ◽  
Blaž Likozar

AbstractConventional biorefinery processes are complex, engineered and energy-intensive, where biomass fractionation, a key functional step for the production of biomass-derived chemical substances, demands industrial organic solvents and harsh, environmentally harmful reaction conditions. There is a timely, clear and unmet economic need for a systematic, robust and affordable conversion method technology to become greener, sustainable and cost-effective. In this perspective, deep eutectic solvents (DESs) have been envisaged as the most advanced novel polar liquids that are entirely made of natural, molecular compounds that are capable of an association via hydrogen bonding interactions. DES has quickly emerged in various application functions thanks to a formulations’ simple preparation. These molecules themselves are biobased, renewable, biodegradable and eco-friendly. The present experimental review is providing the state of the art topical overview of trends regarding the employment of DESs in investigated biorefinery-related techniques. This review covers DESs for lignocellulosic component isolation, applications as (co)catalysts and their functionality range in biocatalysis. Furthermore, a special section of the DESs recyclability is included. For DESs to unlock numerous new (reactive) possibilities in future biorefineries, the critical estimation of its complexity in the reaction, separation, or fractionation medium should be addressed more in future studies.


2021 ◽  
Vol 154 (21) ◽  
pp. 214104
Author(s):  
Jacques K. Desmarais ◽  
Wenli Bi ◽  
Jiyong Zhao ◽  
Michael H. Hu ◽  
Esen Alp ◽  
...  

2021 ◽  
pp. 117323
Author(s):  
Maria F. Nava-Ocampo ◽  
Lamya Al Fuhaid ◽  
Robert Verpoorte ◽  
Young Hae Choi ◽  
Mark C.M. van Loosdrecht ◽  
...  

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