scholarly journals Challenges in the development of bio-based solvents: a case study on methyl(2,2-dimethyl-1,3-dioxolan-4-yl)methyl carbonate as an alternative aprotic solvent

2017 ◽  
Vol 202 ◽  
pp. 157-173 ◽  
Author(s):  
Saimeng Jin ◽  
Fergal Byrne ◽  
Con Robert McElroy ◽  
James Sherwood ◽  
James H. Clark ◽  
...  
Keyword(s):  
Early Stage ◽  
Toxicity Testing ◽  
Solubility Parameters ◽  
Hansen Solubility Parameters ◽  
Step Method ◽  
Methyl Carbonate ◽  
Synthetic Routes ◽  
Selection Of ◽  
Hansen Solubility

Many traditional solvents have drawbacks including sustainability and toxicity issues. Legislation, such as REACH, is driving the move towards less hazardous chemicals and production processes. Therefore, safer bio-based solvents need to be developed. Herein, a 10 step method has been proposed for the development of new bio-based solvents, which utilises a combination of in silico modelling of Hansen solubility parameters (HSPs), experimental Kamlet–Abboud–Taft parameters, a selection of green synthetic routes followed by application testing and toxicity measurements. The challenges that the chemical industry face in the development of new bio-based solvents are highlighted through a case study on methyl(2,2-dimethyl-1,3-dioxolan-4-yl)methyl carbonate (MMC), which can be synthesised from glycerol. Although MMC is an attractive candidate as a replacement solvent, simply being bio-derived is not enough for a molecule to be regarded as green. The methodology of solvent development described here is a broadly applicable protocol that will indicate if a new bio-based solvent is functionally proficient, and will also highlight the importance of early stage Kamlet–Abboud–Taft parameters determination and toxicity testing in the development of a green solvent.

Hansen solubility parameters for selection of green extraction solvents

2019 ◽  
Vol 118 ◽  
pp. 227-237 ◽  
Author(s):  
Andrea del Pilar Sánchez-Camargo ◽  
Mónica Bueno ◽  
Fabián Parada-Alfonso ◽  
Alejandro Cifuentes ◽  
Elena Ibáñez
Keyword(s):  
Solubility Parameters ◽  
Hansen Solubility Parameters ◽  
Green Extraction ◽  
Extraction Solvents ◽  
Selection Of ◽  
Hansen Solubility

Hansen Solubility Parameters for Selection of Green Extraction Solvents

2021 ◽  
pp. 710-724
Author(s):  
Andrea del Pilar Sánchez-Camargo ◽  
Mónica Bueno ◽  
Diego Ballesteros-Vivas ◽  
Fabián Parada-Alfonso ◽  
Alejandro Cifuentes ◽  
...  
Keyword(s):  
Solubility Parameters ◽  
Hansen Solubility Parameters ◽  
Green Extraction ◽  
Extraction Solvents ◽  
Selection Of ◽  
Hansen Solubility

scholarly journals Starch-Based Aerogels Obtained via Solvent-Induced Gelation

Gels ◽  
2020 ◽  
Vol 6 (3) ◽  
pp. 32
Author(s):  
Mirelle Dogenski ◽  
Pavel Gurikov ◽  
Victor Baudron ◽  
J. Vladimir de Oliveira ◽  
Irina Smirnova ◽  
...  
Keyword(s):  
Solubility Parameters ◽  
Gel Formation ◽  
Solvent Exchange ◽  
Hansen Solubility Parameters ◽  
Starch Concentration ◽  
Solvent Content ◽  
Rheological Measurements ◽  
Surface Areas ◽  
Selection Of ◽  
Hansen Solubility

In this work, the ability of several solvents to induce gel formation from amylomaize starch solubilized in dimethyl sulfoxide (DMSO) was investigated. The formed gels were subjected to solvent exchange using ethanol and dried with supercritical carbon dioxide (sc-CO2) to obtain the aerogels. The influence of starch concentration (3–15 wt%) and solvent content (20–80 wt%) on gel formation was also studied. It was demonstrated that the gelation of starch in binary mixtures of solvents can be rationalized by Hansen Solubility Parameters (HSP) revealing a crucial hole of hydrogen bonding for the gel’s strength, which is in agreement with rheological measurements. Only the addition of water or propylene glycol to starch/DMSO solutions resulted in strong gels at a minimum starch and solvent content of 7.5 wt% and 50 wt%, respectively. The resulting aerogels showed comparably high specific surface areas (78–144 m2 g−1) and low envelope densities (0.097–0.203 g cm−3). The results of this work indicate that the HSP parameters could be used as a tool to guide the rational selection of water-free gelation in starch/DMSO systems. In addition, it opens up an attractive opportunity to perform starch gelation in those solvents that are miscible with sc-CO2, avoiding the time-consuming step of solvent exchange.

Measurement of Hansen Solubility Parameters of Third-Degree Burn Eschar

Burns ◽  
2021 ◽  
Author(s):  
Maryam Hosseini ◽  
Michael S. Roberts ◽  
Reza Aboofazeli ◽  
Hamid R. Moghimi
Keyword(s):  
Solubility Parameters ◽  
Hansen Solubility Parameters ◽  
Degree Burn ◽  
Hansen Solubility

scholarly journals Solubilization of Trans-Resveratrol in Some Mono-Solvents and Various Propylene Glycol + Water Mixtures

Molecules ◽  
2021 ◽  
Vol 26 (11) ◽  
pp. 3091
Author(s):  
Mohammed Ghazwani ◽  
Prawez Alam ◽  
Mohammed H. Alqarni ◽  
Hasan S. Yusufoglu ◽  
Faiyaz Shakeel
Keyword(s):  
Propylene Glycol ◽  
Mole Fraction ◽  
Bioactive Compound ◽  
Theoretical Models ◽  
Solubility Parameters ◽  
Hansen Solubility Parameters ◽  
Neat Water ◽  
Dissolution Properties ◽  
Hansen Solubility

This research deals with the determination of solubility, Hansen solubility parameters, dissolution properties, enthalpy–entropy compensation, and computational modeling of a naturally-derived bioactive compound trans-resveratrol (TRV) in water, methanol, ethanol, n-propanol, n-butanol, propylene glycol (PG), and various PG + water mixtures. The solubility of TRV in six different mono-solvents and various PG + water mixtures was determined at 298.2–318.2 K and 0.1 MPa. The measured experimental solubility values of TRV were regressed using six different computational/theoretical models, including van’t Hoff, Apelblat, Buchowski–Ksiazczak λh, Yalkowsly–Roseman, Jouyban–Acree, and van’t Hoff–Jouyban–Acree models, with average uncertainties of less than 3.0%. The maxima of TRV solubility in mole fraction was obtained in neat PG (2.62 × 10−2) at 318.2 K. However, the minima of TRV solubility in the mole fraction was recorded in neat water (3.12 × 10−6) at 298.2 K. Thermodynamic calculation of TRV dissolution properties suggested an endothermic and entropy-driven dissolution of TRV in all studied mono-solvents and various PG + water mixtures. Solvation behavior evaluation indicated an enthalpy-driven mechanism as the main mechanism for TRV solvation. Based on these data and observations, PG has been chosen as the best mono-solvent for TRV solubilization.

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