scholarly journals Using Solubility Parameters to Model More Environmentally Friendly Solvent Blends for Organic Solar Cell Active Layers

Materials ◽  
2019 ◽  
Vol 12 (23) ◽  
pp. 3889
Author(s):  
Ishita Jalan ◽  
Lisa Lundin ◽  
Jan van Stam
Keyword(s):  
Organic Solar Cells ◽  
Industrial Applications ◽  
Solution Chemistry ◽  
Solubility Parameters ◽  
Hansen Solubility Parameters ◽  
Acceptor Pair ◽  
Active Layers ◽  
Donor Acceptor ◽  
Solvent Blends ◽  
Hansen Solubility

To facilitate industrial applications, as well as for environmental and health purposes, there is a need to find less hazardous solvents for processing the photoactive layer of organic solar cells. As there are vast amounts of possibilities to combine organic solvents and solutes, it is of high importance to find paths to discriminate among the solution chemistry possibilities on a theoretical basis. Using Hansen solubility parameters (HSP) offers such a path. We report on some examples of solvent blends that have been found by modelling HSP for an electron donor polymer (TQ1) and an electron acceptor polymer (N2200) to match solvent blends of less hazardous solvents than those commonly used. After the theoretical screening procedure, solubility tests were performed to determine the HSP parameters relevant for the TQ1:N2200 pair in the calculated solvent blends. Finally, thin solid films were prepared by spin-coating from the solvent blends that turned out to be good solvents to the donor-acceptor pair. Our results show that the blend film morphology prepared in this way is similar to those obtained from chloroform solutions.

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.

Application of the Hansen Solubility Parameters Theory to Carbon Nanotubes

2008 ◽  
Vol 8 (11) ◽  
pp. 6082-6092 ◽  
Author(s):  
S. Detriche ◽  
G. Zorzini ◽  
J.-F. Colomer ◽  
A. Fonseca ◽  
J. B. Nagy
Keyword(s):  
Carbon Nanotubes ◽  
Present Approach ◽  
New Method ◽  
Solubility Parameters ◽  
Hansen Solubility Parameters ◽  
High Solubility ◽  
New Approach ◽  
Hansen Solubility

Carbon nanotubes (CNT) are very promising nano-objects due to their exceptional properties. However, their tendency to form bundles as well as their insolubility in common solvents makes them difficult to handle. The main way to solve the problem is chemical or physical CNTs functionalisations, with all the problems inherent to the methods. In this contribution, we present a new approach that allows predicting the solubility of carbon nanotubes in many solvents but also predicting the most appropriate solvents to use for given samples of CNTs. Solubilisation and dispersion being directly connected, the present approach of solubilisation proves also to be efficient in dispersing the CNTs bundles. This contribution is a first step toward the control of carbon nanotube's dispersion in polymers and their homogenous functionalisation. Moreover, we also report here a new method, based on solvents, to separate carbon nanotubes by size, the use of mixture of non-solvents in order to obtain good solvents and the use of mixture of good solvents to obtain higher solubility. The use of mixture of good solvents allowed us to obtain high solubility, up to three times higher then that reported in literature. We have also measured and analysed the solubility of some functionalised carbon nanotubes.

Towards a Framework for Evaluating and Reporting Hansen Solubility Parameters: Applications to Nano and Micron Scale Particle Dispersions

2021 ◽  
Author(s):  
Shalmali Bapat ◽  
Stefan O. Kilian ◽  
Hartmut Wiggers ◽  
Doris Segets
Keyword(s):  
Continuous Phase ◽  
Solubility Parameters ◽  
Hansen Solubility Parameters ◽  
Ranking List ◽  
Knowledge Based ◽  
Complex Interactions ◽  
Analytical Centrifugation ◽  
Scale Particle ◽  
Hansen Solubility

<p>A thorough understanding of complex interactions within particulate systems is a key for knowledge-based formulations. Hansen solubility parameters (HSP) are widely used to assess the compatibility of the dispersed phase with the continuous phase. At present, the determination of HSP is often based on a liquid ranking list obtained by evaluating a pertinent dispersion parameter using only one pre-selected characterization method. Furthermore, one cannot rule out the possibility of subjective judgment especially for liquids for which it is difficult to decipher the compatibility or underlying interactions. As a result, the end value of HSP might be of little or no information. To overcome these issues, we introduce a generalized technology-agnostic combinatorics-based approach. We discuss the principles of the approach and the implications of evaluating and reporting particle HSP values. We demonstrate the approach by using SiN<sub>x</sub> particles. We leverage the analytical centrifugation data to evaluate stability trajectories of SiN<sub>x</sub> dispersions in various liquids to deduce particle-liquid compatibility. </p>

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