Articles de revues : « SOLVENT SYSTEMS »

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Raksajati, Anggit, Minh Ho et Dianne Wiley. « Solvent Development for Post-Combustion CO2 Capture : Recent Development and Opportunities ». MATEC Web of Conferences 156 (2018) : 03015. http://dx.doi.org/10.1051/matecconf/201815603015.

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Chemical absorption is widely regarded as the most promising technology for post-combustion CO2 capture from large industrial emission sources with CO2 separation from natural gas using aqueous amine solvent system having been applied since the 1930s. The use of monoethanolamine (MEA) in CO2 absorption system possesses several drawbacks, such as high regeneration energy, high solvent loss, and high corrosion tendency. Various solvents have been developed for post-combustion CO2 capture application including the development of aqueous solvents and phase-change solvents. Some of these alternate solvents have been reported to have better solvent properties, which could improve the CO2 absorption system performance. This paper reviews key parameters involved in the design improvement of several chemical absorption process systems. In addition, some novel solvent systems are also discussed, for example encapsulated solvents systems. Some of the key solvent parameters that affect the capture performance, such as heat of reaction, absorption rate, solvent working capacity, solvent concentration, and solvent stability, are discussed in this paper, particularly in relation to the economic viability of the capture process. In addition, some guidelines for the future solvent development are discussed.

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Grigorescu, Gabriela, Silvia Ioan et Bogdan C. Simionescu. « Solvent/solvent/polymer ternary systems ». Polymer Bulletin 31, n^o 1 (juillet 1993) : 123–27. http://dx.doi.org/10.1007/bf00298774.

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O'Neill, Mark L., Peeter Kruus et Robert C. Burk. « Solvatochromic parameters and solubilities in supercritical fluid systems ». Canadian Journal of Chemistry 71, n^o 11 (1 novembre 1993) : 1834–40. http://dx.doi.org/10.1139/v93-229.

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Spectroscopic studies of the compound 2-nitroanisole in supercritical fluids CO2 and N2O show that π* values vary linearly with density. The solubility trends in these single component supercritical fluid solvents qualitatively followed the trends in solvent power predicted from π*. However, the relative solvent power predicted for CO2 and N2O based on π* resulted in an opposite order to what was determined experimentally through solubility measurements. The π* parameter may be of some use for solubility prediction if only a limited set of solute–solvent systems are considered. Measurements of π*, especially those in binary supercritical fluid solvents, suggest that π* could be a valuable tool for probing the solute-organized cybotactic region.

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Shuai, Jianbo, et Xiaohui Wang. « Novel solvent systems for cellulose dissolution ». BioResources 16, n^o 2 (1 février 2021) : 2192–95. http://dx.doi.org/10.15376/biores.16.2.2192-2195.

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Cellulose, as the most abundant sustainable resource on earth, can be chemically transformed into a variety of biodegradable materials, which have been proposed as the ideal substitutes for plastic products. The first challenge for the fabrication of cellulose-based functional materials is the successful dissolution of cellulose by solvents. However, most existing cellulose solvents have environmental, economic, and other drawbacks that limit their further industrial applications. Research on developing novel solvent systems with “greener” and “cheaper” properties is needed to meet the challenges.

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Tao, Fei, Bo Yu, Ping Xu et Cui Qing Ma. « Biodesulfurization in Biphasic Systems Containing Organic Solvents ». Applied and Environmental Microbiology 72, n^o 7 (juillet 2006) : 4604–9. http://dx.doi.org/10.1128/aem.00081-06.

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ABSTRACT Biphasic systems can overcome the problem of low productivity in conventional media and have been exploited for biocatalysis. Solvent-tolerant microorganisms are useful in biotransformation with whole cells in biphasic reactions. A solvent-tolerant desulfurizing bacterium, Pseudomonas putida A4, was constructed by introducing the biodesulfurizing gene cluster dszABCD, which was from Rhodococcus erythropolis XP, into the solvent-tolerant strain P. putida Idaho. Biphasic reactions were performed to investigate the desulfurization of various sulfur-containing heterocyclic compounds in the presence of various organic solvents. P. putida A4 had the same substrate range as R. erythropolis XP and could degrade dibenzothiophene at a specific rate of 1.29 mM g (dry weight) of cells−1 h−1 for the first 2 h in the presence of 10% (vol/vol) p-xylene. P. putida A4 was also able to degrade dibenzothiophene in the presence of many other organic solvents at a concentration of 10% (vol/vol). This study is a significant step in the exploration of the biotechnological potential of novel biocatalysts for developing an efficient biodesulfurization process in biphasic reaction mixtures containing toxic organic solvents.

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Nyquist, R. A., T. M. Kirchner et H. A. Fouchea. « Vibrational Frequency Shifts of the Carbonyl Stretching Mode Induced by Solvents : Acetone ». Applied Spectroscopy 43, n^o 6 (août 1989) : 1053–55. http://dx.doi.org/10.1366/0003702894203741.

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Variation in the correlations obtained between electron acceptor number (AN) values for each solvent versus the vC=O frequencies for acetone and tetramethylurea in solution with these solvents suggests that the AN values are not a precise measure of solute/solvent interaction for all solute/solvent systems. Factors such as intermolecular hydrogen bonding between solute and solvent and the differences between molecular geometry of the solutes and solvents most likely account for differences in the solute/solvent interaction for different solutes in the same solvents.

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Allard, B., E. Casadevall, A. Casadevall et C. Largeau. « Solvent-Solvent Interactions in Hexafluoroisopropanol Water Systems ». Bulletin des Sociétés Chimiques Belges 91, n^o 5 (1 septembre 2010) : 372. http://dx.doi.org/10.1002/bscb.19820910531.

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Li, Xian-Zhi, Li Zhang et Keith Poole. « Role of the Multidrug Efflux Systems ofPseudomonas aeruginosa in Organic Solvent Tolerance ». Journal of Bacteriology 180, n^o 11 (1 juin 1998) : 2987–91. http://dx.doi.org/10.1128/jb.180.11.2987-2991.1998.

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ABSTRACT Multidrug efflux pumps with a broad substrate specificity make a major contribution to intrinsic and acquired multiple antibiotic resistance in Pseudomonas aeruginosa. Using genetically defined efflux pump mutants, we investigated the involvement of the three known efflux systems, MexA-MexB-OprM, MexC-MexD-OprJ, and MexE-MexF-OprN, in organic solvent tolerance in this organism. Our results showed that all three systems are capable of providing some level of tolerance to organic solvents such as n-hexane andp-xylene. Expression of MexAB-OprM was correlated with the highest levels of tolerance, and indeed, this efflux system was a major contributor to the intrinsic solvent tolerance of P. aeruginosa. Intrinsic organic solvent tolerance was compromised by a protonophore, indicating that it is substantially energy dependent. These data suggest that the efflux of organic solvents is a factor in the tolerance of P. aeruginosa to these compounds and that the multidrug efflux systems of this organism can accommodate organic solvents, as well as antibiotics.

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Castro, Gabriela Tatiana, Mauricio Andrés Filippa, Cecilia Mariana Peralta, María Virginia Davin, María Cristina Almandoz et Estela Isabel Gasull. « Solubility and Preferential Solvation of Piroxicam in Neat Solvents and Binary Systems ». Zeitschrift für Physikalische Chemie 232, n^o 2 (23 février 2018) : 257–80. http://dx.doi.org/10.1515/zpch-2017-0946.

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AbstractThe solubilization and solvatochromic behavior of piroxicam (PRX) were analyzed using UV-vis spectroscopy in neat (protic and aprotic) and binary solvent mixtures. The effects of solvent dipolarity/polarizability and solvent–solute hydrogen bonding interactions on the absorption maxima were evaluated by means of the linear solvation energy relationship concept of Kamlet and Taft. This analysis indicated that both interactions play an important role in the position of the absorption maxima in neat solvents. While, the PRX solubility depends on the solute–solvent specific interactions, polarizability and the cohesive forces of the solvent, manifested mainly by means of the Hildebrand’s solubility parameter. Preferential solvation (PS) was studied in 10 binary mixtures. A non-ideal behavior of the wavenumber curve as the function of analytical mole fraction of co-solvent was detected. Index of preferential solvation, as well as the influence of solvent parameters were calculated. The process of dissolution was analyzed in aqueous binary mixtures of ethanol, ethylene glycol and propylene glycol. They were not spontaneous in all proportions, but when water concentration decreases in the mixtures, the process becomes more spontaneous.

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Nihi, Fabio Mitugui, Hebert Samuel Carafa Fabre, Georges Garcia, Karen Barros Parron Fernandes, Flaviana Bombarda de Andrade Ferreira et Linda Wang. « In vitro assessment of solvent evaporation from commercial adhesive systems compared to experimental systems ». Brazilian Dental Journal 20, n^o 5 (2009) : 396–402. http://dx.doi.org/10.1590/s0103-64402009000500007.

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Solvents should be properly evaporated after application to dental substrates. The aim of this study was to assess the evaporation of commercial, experimental and neat solvents. The tested null hypotheses were that there are no differences in solvent evaporation regardless of its formulation and over time. Evaporation from commercial adhesive systems (Scotchbond Multipurpose Primer, Scotchbond Multipurpose Adhesive, Prime & Bond NT, Multi Bond, Excite, Single Bond 2, Adhese Primer, Adhese Bond, Xeno III A and Xeno III B) and experimental primers (35% HEMA plus 65% acetone or ethanol or water v/v) were compared to neat solvents (acetone, ethanol and water). Samples (10 µL) of these products were dripped into glass containers placed on a digital precision balance. Evaporation was assessed at 0, 5, 10, 15, 30, 60, 120, 300 and 600 s times to calculate mass loss. Data were analyzed statistically by ANOVA and Bonferroni's correction (a=0.05). Acetone-based products exhibited a remarkable capacity to evaporate spontaneously over time. Neat acetone evaporated significantly more than the HEMA-mixtures and the commercial formulations (p<0.05). The incorporation of monomers and other ingredients in the commercial formulations seem to reduce the evaporation capacity. Solvent evaporation was time and material-dependent.

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Maiangwa, Jonathan, Mohd Shukuri Mohamad Ali, Abu Bakar Salleh, Raja Noor Zaliha Raja Abd Rahman, Yahaya M. Normi, Fairolniza Mohd Shariff et Thean Chor Leow. « Lid opening and conformational stability of T1 Lipase is mediated by increasing chain length polar solvents ». PeerJ 5 (18 mai 2017) : e3341. http://dx.doi.org/10.7717/peerj.3341.

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The dynamics and conformational landscape of proteins in organic solvents are events of potential interest in nonaqueous process catalysis. Conformational changes, folding transitions, and stability often correspond to structural rearrangements that alter contacts between solvent molecules and amino acid residues. However, in nonaqueous enzymology, organic solvents limit stability and further application of proteins. In the present study, molecular dynamics (MD) of a thermostable Geobacillus zalihae T1 lipase was performed in different chain length polar organic solvents (methanol, ethanol, propanol, butanol, and pentanol) and water mixture systems to a concentration of 50%. On the basis of the MD results, the structural deviations of the backbone atoms elucidated the dynamic effects of water/organic solvent mixtures on the equilibrium state of the protein simulations in decreasing solvent polarity. The results show that the solvent mixture gives rise to deviations in enzyme structure from the native one simulated in water. The drop in the flexibility in H2O, MtOH, EtOH and PrOH simulation mixtures shows that greater motions of residues were influenced in BtOH and PtOH simulation mixtures. Comparing the root mean square fluctuations value with the accessible solvent area (SASA) for every residue showed an almost correspondingly high SASA value of residues to high flexibility and low SASA value to low flexibility. The study further revealed that the organic solvents influenced the formation of more hydrogen bonds in MtOH, EtOH and PrOH and thus, it is assumed that increased intraprotein hydrogen bonding is ultimately correlated to the stability of the protein. However, the solvent accessibility analysis showed that in all solvent systems, hydrophobic residues were exposed and polar residues tended to be buried away from the solvent. Distance variation of the tetrahedral intermediate packing of the active pocket was not conserved in organic solvent systems, which could lead to weaknesses in the catalytic H-bond network and most likely a drop in catalytic activity. The conformational variation of the lid domain caused by the solvent molecules influenced its gradual opening. Formation of additional hydrogen bonds and hydrophobic interactions indicates that the contribution of the cooperative network of interactions could retain the stability of the protein in some solvent systems. Time-correlated atomic motions were used to characterize the correlations between the motions of the atoms from atomic coordinates. The resulting cross-correlation map revealed that the organic solvent mixtures performed functional, concerted, correlated motions in regions of residues of the lid domain to other residues. These observations suggest that varying lengths of polar organic solvents play a significant role in introducing dynamic conformational diversity in proteins in a decreasing order of polarity.

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Zhang, Xiaowei, Liqun Yang, Chong Zhang, Danhua Liu, Shu Meng, Wei Zhang et Shengnan Meng. « Effect of Polymer Permeability and Solvent Removal Rate on In Situ Forming Implants : Drug Burst Release and Microstructure ». Pharmaceutics 11, n^o 10 (10 octobre 2019) : 520. http://dx.doi.org/10.3390/pharmaceutics11100520.

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To explore the mechanism of drug release and depot formation of in situ forming implants (ISFIs), osthole-loaded ISFIs were prepared by dissolving polylactide, poly(lactide-co-glycolide), polycaprolactone, or poly(trimethylene carbonate) in different organic solvents, including N-methyl-2-pyrrolidone (NMP), dimethyl sulfoxide (DMSO), and triacetin (TA). Drug release, polymer degradation, solvent removal rate and depot microstructure were examined. The burst release effect could be reduced by using solvents exhibit slow forming phase inversion and less permeable polymers. Both the drug burst release and polymer depot microstructure were closely related to the removal rate of organic solvent. Polymers with higher permeability often displayed faster drug and solvent diffusion rates. Due to high polymer-solvent affinity, some of the organic solvent remained in the depot even after the implant was completely formed. The residual of organic solvent could be predicted by solubility parameters. The ISFI showed a lower initial release in vivo than that in vitro. In summary, the effects of different polymers and solvents on drug release and depot formation in ISFI systems were extensively investigated and discussed in this article. The two main factors, polymer permeability and solvent removal rate, were involved in different stages of drug release and depot formation in ISFI systems.

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Nyquist, R. A. « The KBM Equation for Solvent-Induced Frequency Shifts Revisited ». Applied Spectroscopy 43, n^o 7 (septembre 1989) : 1208–11. http://dx.doi.org/10.1366/0003702894203435.

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The KBM equation for determining solvent frequency shifts is generally useless for predicting vC = O frequencies for compounds in various solvent systems. The vC = O frequencies for acetone and tetramethylurea in various solvents do not correlate with dielectric effects (ε) of the solvent. A series of factors most likely determine the extent of solute/solvent-induced vibrational mode frequency shifts.

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Tan, Zhe, Yuhan Liu et Bo Huang. « A highly efficient three-solvent methodology for separating colloidal nanoparticles ». Nanoscale 14, n^o 14 (2022) : 5482–87. http://dx.doi.org/10.1039/d2nr00495j.

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The centrifugation mechanism in three-solvent systems was proposed, including film formation and film fusion. A novel three-solvent system with low-toxicity solvents and high separation efficiency was established for separating nanomaterials.

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Lee, Yongchul, Dongil Ho, Federica Valentini, Taeshik Earmme, Assunta Marrocchi, Luigi Vaccaro et Choongik Kim. « Improving the charge transport performance of solution-processed organic field-effect transistors using green solvent additives ». Journal of Materials Chemistry C 9, n^o 46 (2021) : 16506–15. http://dx.doi.org/10.1039/d1tc03782j.

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Green solvent additives were employed as non-solvents in binary solvent systems to enable the pre-aggregation of organic semiconductors and enhance the electrical performance of organic field-effect transistors and complementary-like inverters.

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Codling, Dale J., Gang Zheng, Tim Stait-Gardner et William S. Price. « Diffusion Studies of Phenylenediamine Isomers in Water-Monohydric-Alcohol Systems ». Australian Journal of Chemistry 67, n^o 6 (2014) : 922. http://dx.doi.org/10.1071/ch13717.

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The study of isomer diffusion provides useful information regarding solvent effects for mixture analysis. Isomers, particularly those with similar hydrodynamic radii, provide a mechanism for probing solute–solvent interactions. Here nuclear magnetic resonance was used to measure the self-diffusion of phenylenediamine isomers in various water–monohydric-alcohol (i.e. methanol, ethanol, 1-propanol, and tert-butanol) solvents. These systems allowed the effect of solvent modulation on isomer diffusion to be examined. It was found that the resonances of phenylenediamine isomers in a mixture were separable via diffusion, with the separation becoming greater at higher concentration of monohydric-alcohols. Unlike previously shown for dihydroxybenzene isomers, all three phenylenediamine isomers were differentiable via diffusion.

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ELENA, CHIȚANU, BĂRA ADELA, BANCIU CRISTINA, LUNGULESCU MARIUS et MARINESCU VIRGIL. « Study of electrospun cellulose acetate fibers ». Industria Textila 69, n^o 05 (1 novembre 2018) : 363–68. http://dx.doi.org/10.35530/it.069.05.1511.

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The objective of this work was the preparation of cellulose acetate nanofibers by electrospinning using a mixture of solvents. Cellulose acetate solutions were electrospun from binary and ternary solvent systems, such as N,N-dimethylformamide, acetone and chloroform. The effects of the solvent systems on the structural, morphological and mechanical characteristics of the fibers were investigated.

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Wijaya, Emmy C., Frances Separovic, Calum J. Drummond et Tamar L. Greaves. « Activity and conformation of lysozyme in molecular solvents, protic ionic liquids (PILs) and salt–water systems ». Physical Chemistry Chemical Physics 18, n^o 37 (2016) : 25926–36. http://dx.doi.org/10.1039/c6cp03334b.

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The role of solvent features on enzyme stability was investigated by comparing the conformation and activity of lysozyme in molecular solvents, PILs and salt solutions. Electrostatic interactions and the solvophobic effect dominated at low and high solvent concentrations, respectively.

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Jouyban, Abolghasem, Maryam Khoubnasabjafari et William E. Acree, Jr. « Solubility prediction of anthracene in nonaqueous solvent mixtures using a combination of Jouyban-Acree and Abraham models ». Canadian Journal of Chemistry 84, n^o 6 (1 juin 2006) : 874–85. http://dx.doi.org/10.1139/v06-082.

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The applicability of previously developed quantitative structure-property relationships was extended to predict the solubility of anthracene in nonaqueous binary and ternary solvent mixtures. The accuracy of the proposed methods was evaluated using 81 solubility data sets collected from the literature. The individual and mean percentage deviation (IPD and MPD) of experimental and computed solubilities were calculated as accuracy criteria. The computations were carried out using experimental and predicted mole fraction solubility of anthracene in monosolvent systems for binary and ternary solvent systems. The overall MPD of solubility prediction using experimental values in monosolvents varied from 5.2% to 4.2% and from 16.5% to 10.7% for binary and ternary solvents, using water to solvent and gas to solvent solvational parameters, respectively. The IPD distribution was better for the gas to solvent model. The corresponding ranges for the predicted solubility of anthracene in monosolvents were 47.9% to 28.1% and 23.9% to 22.5% for binary and ternary solvents, respectively, and IPD distribution was more favourable for the gas to solvent model. In general, the models derived from gas to solvent coefficients provided more accurate predictions and are recommended for practical applications.Key words: solubility, prediction, cosolvency, anthracene, Abraham model, Jouyban-Acree model.

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Cysewski, Piotr, Tomasz Jeliński et Maciej Przybyłek. « Experimental and Theoretical Insights into the Intermolecular Interactions in Saturated Systems of Dapsone in Conventional and Deep Eutectic Solvents ». Molecules 29, n^o 8 (11 avril 2024) : 1743. http://dx.doi.org/10.3390/molecules29081743.

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Solubility is not only a crucial physicochemical property for laboratory practice but also provides valuable insight into the mechanism of saturated system organization, as a measure of the interplay between various intermolecular interactions. The importance of these data cannot be overstated, particularly when dealing with active pharmaceutical ingredients (APIs), such as dapsone. It is a commonly used anti-inflammatory and antimicrobial agent. However, its low solubility hampers its efficient applications. In this project, deep eutectic solvents (DESs) were used as solubilizing agents for dapsone as an alternative to traditional solvents. DESs were composed of choline chloride and one of six polyols. Additionally, water–DES mixtures were studied as a type of ternary solvents. The solubility of dapsone in these systems was determined spectrophotometrically. This study also analyzed the intermolecular interactions, not only in the studied eutectic systems, but also in a wide range of systems found in the literature, determined using the COSMO-RS framework. The intermolecular interactions were quantified as affinity values, which correspond to the Gibbs free energy of pair formation of dapsone molecules with constituents of regular solvents and choline chloride-based deep eutectic solvents. The patterns of solute–solute, solute–solvent, and solvent–solvent interactions that affect solubility were recognized using Orange data mining software (version 3.36.2). Finally, the computed affinity values were used to provide useful descriptors for machine learning purposes. The impact of intermolecular interactions on dapsone solubility in neat solvents, binary organic solvent mixtures, and deep eutectic solvents was analyzed and highlighted, underscoring the crucial role of dapsone self-association and providing valuable insights into complex solubility phenomena. Also the importance of solvent–solvent diversity was highlighted as a factor determining dapsone solubility. The Non-Linear Support Vector Regression (NuSVR) model, in conjunction with unique molecular descriptors, revealed exceptional predictive accuracy. Overall, this study underscores the potency of computed molecular characteristics and machine learning models in unraveling complex molecular interactions, thereby advancing our understanding of solubility phenomena within the scientific community.

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Mahadlek, Jongjan, et Thawatchai Phaechamud. « Metrodidazole In Situ Forming Eudragit RS Gel Comprising Different Solvents ». Key Engineering Materials 659 (août 2015) : 13–18. http://dx.doi.org/10.4028/www.scientific.net/kem.659.13.

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In situforming gel with solvent exchange mechanism is one of drug delivery systems for periodontitis treatment. The system is injected into the desired site then transforms into a gel state when the solvent diffuses out and aqueous diffuses in. Thein situforming Eudragit RSgels loading 1, 5 and 10%w/w metronidazole (MT) were developed in this study usingN-methyl pyrrolidone (NMP), 2-pyrrolidone and dimethyl sulfoxide (DMSO) as solvent. The viscosity of the gel systems in all solvents were increased as drug or polymer amount was increased with Newtonian flow behavior. Transformation into gel was evident after initiated the systems in phosphate buffer pH 6.8. NMP systems exhibited the lowest work of syringeability through 18 G syringe. Drug release from dialysis tube of DMSO systems was slower than that of NMP and 2-pyrrolidone systems, respectively. Antimicrobial activity againstStaphylococcus aureusof the systems comprising MT using NMP as solvent was greater than that using 2-pyrrolidone and DMSO, respectively, which the antimicrobial activity was increased as the drug amount was increased. Therefore, the solvent type affected the viscosity, gel formation, syringeability, drug release and antimicrobial activity of Eudragit RS systems. These developed systems sustained the drug release and inhibited the bacterial growth hence they were interesting systems for periodontitis treatment.

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Soh, Young Soo, Jeong Ho Kim et Carl C. Gryte. « Phase behaviour of polymer/solvent/ non-solvent systems ». Polymer 36, n^o 19 (janvier 1995) : 3711–17. http://dx.doi.org/10.1016/0032-3861(95)93774-g.

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Vrentas, J. S., et C. M. Vrentas. « Solvent Self-Diffusion in Rubbery Polymer-Solvent Systems ». Macromolecules 27, n^o 17 (août 1994) : 4684–90. http://dx.doi.org/10.1021/ma00095a007.

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Vrentas, J. S., et C. M. Vrentas. « Solvent Self-Diffusion in Glassy Polymer-Solvent Systems ». Macromolecules 27, n^o 20 (septembre 1994) : 5570–76. http://dx.doi.org/10.1021/ma00098a009.

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Tihminlioglu, Funda, et Ronald P. Danner. « Solvent diffusion in amorphous polymers : Polystyrene-solvent systems ». Journal of Polymer Science Part B : Polymer Physics 38, n^o 15 (2000) : 1965–74. http://dx.doi.org/10.1002/1099-0488(20000801)38:15<1965 ::aid-polb20>3.0.co;2-p.

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Zaarour, Bilal, Wenxin Zhang, Lei Zhu, Xiang Yu Jin et Chen Huang. « Maneuvering surface structures of polyvinylidene fluoride nanofibers by controlling solvent systems and polymer concentration ». Textile Research Journal 89, n^o 12 (21 août 2018) : 2406–22. http://dx.doi.org/10.1177/0040517518792748.

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The surface evolution of fibers has been attracting great attention in many areas. In this work, we demonstrated the feasibility of directly electrospinning grooved and porous polyvinylidene fluoride fibers by varying polymer concentration and using both single/binary solvent systems. We discovered that grooved fibers can be generated from a variety of binary solvent systems, whereas porous fibers can be achieved using low boiling point solvent (LBPS) systems. The results indicated that the key factors for the formation of grooved fibers are the polymer concentration, the difference of evaporation rate (the difference of boiling points between each of the two studied solvents) between the two solvents, and the solvent ratio. While the polymer concentration, the presence of LBPS, and the solvent ratio are the decisive factors for the formation of porous structures. The formation mechanism of grooved fibers was attributed to void-based elongation, wrinkle-based elongation, and collapsed jet-based elongation. The mechanism for the formation of porous fibers was ascribed to the coexistence of both thermally induced phase separation and vapor induced phase separation. These structures can be used in different applications, such as harvesting energy and filtration. Importantly, we believe our work can serve as guidelines for the preparation of grooved and porous nanofibers through electrospinning.

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Kavda, Stefani, Emma Richardson et Stavroula Golfomitsou. « The Use of Solvent-Gel Systems for the Cleaning of PMMA ». MRS Advances 2, n^o 39-40 (2017) : 2179–87. http://dx.doi.org/10.1557/adv.2017.249.

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ABSTRACT This paper discusses the use of solvent-gel systems for the cleaning of poly (methyl methacrylate) (PMMA) surfaces. Aqueous polymer gel systems have been introduced to the conservation field with a particular focus on paintings, painted surfaces of wooden artefacts and stone. However, their application on plastics is very recent. Statistically designed experiments aimed to assess the efficiency and damage potential of materials constituting selected solvent-gel cleaning systems. The effect of the free solvents (deionized water, ethanol, isopropanol and petroleum ether), the hydrogel carriers (Agar, Pemulen™ TR-2, Carbopol® EZ 2-Ethomeen® C-25 and 80% hydrolysed PVAc-borax) and their combinations after 5 and 60 minutes of application time on PMMA surfaces, were evaluated through qualitative visual microscopic observation and SEM imaging, and quantitative weight change measurements. Visual observations revealed that the action of solvents (i.e. ethanol and isopropanol) was moderated by gellation (i.e. Agar), while other gel systems (i.e. Pemulen) were unsatisfactory. Results of gravimetric studies showed that most solvent-gels resulted in inconsistencies and large weight changes.

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Yadav, Jyoti, Dan G. Dumitrescu, Thomas Kendall, Carmen Guguta et Swati A. Patel. « Effect of Solvent Composition on Solubility, Thermodynamics, Metastable Zone Width (MSZW) and Crystal Habit of L-Ascorbic Acid ». Crystals 12, n^o 12 (9 décembre 2022) : 1798. http://dx.doi.org/10.3390/cryst12121798.

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This work investigates the effect of different solvent systems on solubility, thermodynamics, metastable zone width (MSZW), and crystal habit of ascorbic acid, in order to help optimize its crystallization process. The solubility curves and metastable zone (MSZ) limits were determined experimentally using the polythermal method in pure solvents: water and alcohols (methanol/ethanol/isopropanol), as well as water-alcohol binary solvent systems. The solubility decreases with increasing alcohol composition for all solvent systems. The solubility data were well correlated using the Jouyban–Acree model as a function of two variables: temperature and solvent composition. The dissolution enthalpy (ΔHdiss), dissolution entropy (ΔSdiss), and Gibbs free energy (ΔGdiss) were determined using Van’t Hoff and Jouyban–Acree models. The thermodynamic properties increase with increasing alcohol composition. The lowest and highest values of enthalpy were obtained for water (20.52 kJ mol −1) and isopropanol (35.33 kJ mol−1), respectively. Pure alcohols as solvents widen the metastable zone width, indicating high supersaturation required for the nucleation. Crystal images captured during cooling crystallization in water confirm the cubic crystal habit formation, whereas increasing alcohol composition in the solvent system promotes preferential growth along one crystallographic axis, leading to elongated prism-shaped crystals in methanol and ethanol and needle-shaped crystals in isopropanol.

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Schuur, Boelo, Thomas Brouwer et Lisette M. J. Sprakel. « Recent Developments in Solvent-Based Fluid Separations ». Annual Review of Chemical and Biomolecular Engineering 12, n^o 1 (7 juin 2021) : 573–91. http://dx.doi.org/10.1146/annurev-chembioeng-102620-015346.

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The most important developments in solvent-based fluid separations, separations involving at least one fluid phase, are reviewed. After a brief introduction and discussion on general solvent trends observed in all fields of application, several specific fields are discussed. Important solvent trends include replacement of traditional molecular solvents by ionic liquids and deep eutectic solvents and, more recently, increasing discussion around bio-based solvents in some application fields. Furthermore, stimuli-responsive systems are discussed; the most significant developments in this field are seen for CO2-switchable and redox-responsive solvents. Discussed fields of application include hydrocarbons separations, carbon capture, biorefineries, and metals separations. For all but the hydrocarbons separations, newly reported electrochemically mediated separations seem to offer exciting new windows of opportunities.

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Cheng, Fangchao, Tulong Ouyang, Jianping Sun, Tao Jiang et Jianju Luo. « Using solubility parameter analysis to understand delignification of poplar and rice straw with catalyzed organosolv fractionation processes ». BioResources 14, n^o 1 (28 novembre 2018) : 486–99. http://dx.doi.org/10.15376/biores.14.1.486-499.

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Biomass fractionation is important for the further conversion of the cellulosic fraction and the effective utilization of the lignin fraction for the production of biofuels and value-added products. Solvent properties play a crucial role on the fractionation efficiency of lignocellulosics using an organosolv fractionation process catalyzed by acidic ionic liquids (AILs). Herein, 12 organic solvents were selected as co-solvents with water based on their solubility parameters for lignin dissolution, including alcohols, alcohol ethers, lactones, and alkanolamines, in order to fractionate poplar and rice straw. Effects of fractionation liquor solubility parameters on the delignification efficiency of organosolv fractionation were investigated under the same conditions. Relative energy differences (REDs) of the co-solvent systems for lignin dissolution were closely related to the degree of delignification with adjusted coefficients of determination of 0.899 and 0.800 for poplar and rice straw processes, respectively. The application of solubility parameter analysis may provide a rational way to screen solvent or co-solvent fractionation systems for biomass fractionation process.

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Romay, Marta, Nazely Diban et Ane Urtiaga. « Thermodynamic Modeling and Validation of the Temperature Influence in Ternary Phase Polymer Systems ». Polymers 13, n^o 5 (24 février 2021) : 678. http://dx.doi.org/10.3390/polym13050678.

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The effect of the temperature, as a process variable in the fabrication of polymeric membranes by the non-solvent induced phase separation (NIPS) technique, has been scarcely studied. In the present work, we studied the influence of temperature, working at 293, 313 and 333 K, on the experimental binodal curves of four ternary systems composed of PVDF and PES as the polymers, DMAc and NMP as the solvents and water as the non-solvent. The increase of the temperature caused an increase on the solubility gap of the ternary system, as expected. The shift of the binodal curve with the temperature was more evident in PVDF systems than in PES systems indicating the influence of the rubbery or glassy state of the polymer on the thermodynamics of phase separation. As a novelty, the present work has introduced the temperature influence on the Flory–Huggins model to fit the experimental cloud points. Binary interaction parameters were calculated as a function of the temperature: (i) non-solvent/solvent (g12) expressions with UNIFAC-Dortmund methodology and (ii) non-solvent/polymer (χ13) and solvent/polymer (χ23) using Hansen solubility parameters. Additionally, the effect of the ternary interaction term was not negligible in the model. Estimated ternary interaction parameters (χ123) presented a linear relation with temperature and negative values, indicating that the solubility of the polymers in mixtures of solvent/non-solvent was higher than expected for single binary interaction. Finally, PES ternary systems exhibited higher influence of the ternary interaction parameter than PVDF systems.

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Wen, Xiaopeng, Seiichiro Takahashi, Kenji Hatakeyama et Ken-ichiro Kamei. « Evaluation of the Effects of Solvents Used in the Fabrication of Microfluidic Devices on Cell Cultures ». Micromachines 12, n^o 5 (12 mai 2021) : 550. http://dx.doi.org/10.3390/mi12050550.

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Microfluidic microphysiological systems (MPSs) or “organs-on-a-chip” are a promising alternative to animal models for drug screening and toxicology tests. However, most microfluidic devices employ polydimethylsiloxane (PDMS) as the structural material; and this has several drawbacks. Cyclo-olefin polymers (COPs) are more advantageous than PDMS and other thermoplastic materials because of their low drug absorption and autofluorescence. However, most COP-based microfluidic devices are fabricated by solvent bonding of the constituent parts. Notably, the remnant solvent can affect the cultured cells. This study employed a photobonding process with vacuum ultraviolet (VUV) light to fabricate microfluidic devices without using any solvent and compared their performance with that of solvent-bonded systems (using cyclohexane, dichloromethane, or toluene as the solvent) to investigate the effects of residual solvent on cell cultures. Quantitative immunofluorescence assays indicated that the coating efficiencies of extracellular matrix proteins (e.g., Matrigel and collagen I) were lower in solvent-bonded COP devices than those in VUV-bonded devices. Furthermore, the cytotoxicity of the systems was evaluated using SH-SY5Y neuroblastoma cells, and increased apoptosis was observed in the solvent-processed devices. These results provide insights into the effects of solvents used during the fabrication of microfluidic devices and can help prevent undesirable reactions and establish good manufacturing practices.

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Vrentas, J. S., C. M. Vrentas et N. Faridi. « Effect of Solvent Size on Solvent Self-Diffusion in Polymer−Solvent Systems ». Macromolecules 29, n^o 9 (janvier 1996) : 3272–76. http://dx.doi.org/10.1021/ma9511356.

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IVANOVA, I. K., A. A. DIAKONOV, M. E. SEMENOV et V. V. KORYAKINA. « MORPHOLOGY AND KINETICS OF PETROLEUM WAX DISSOLUTION IN HYDROCARBON SYSTEMS ». Periódico Tchê Química 15, n^o 30 (20 août 2018) : 570–77. http://dx.doi.org/10.52571/ptq.v15.n30.2018.574_periodico30_pgs_570_577.pdf.

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This paper studies the effect of solvent chemical nature on the kinetic parameters of dissolution and the morphology of the petroleum waxes. The kinetics of the petroleum wax dissolution in gas condensate and the hexane-cyclohexane-benzene mixture was examined on the torsion balance within the temperature range from 10 to 40°C. The process was described using the Erofeev-Kolmogorov equation. The following kinetic parameters were calculated: reaction rate, the order of reactions and effective energy for activation the wax dissolution in the studied solvents. It was found that the wax dissolution rate in the ternary composite is an order of magnitude greater and the activation energy is three times less in comparison with the process of wax dissolution in the gas condensate. The morphological features of the wax samples, treated by these solvents, were examined by means of scanning electron microscopy. It was found that in the ternary composite, wax has a porous structure and in the gas condensate, it is compressed. Thus, the identified kinetic and morphological behavior of petroleum waxes indicates the influence of the chemical nature of the solvent. The findings of this study can be useful when choosing a solvent for the paraffin deposits removal.

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Declémy, A., C. Rulliére et Ph Kottis. « Solvation Dynamics Studied by Picosecond Fluorescence : Microscopic Reorientation and Longitudinal Relaxation of the Solvent ». Laser Chemistry 10, n^o 5-6 (1 janvier 1990) : 413–29. http://dx.doi.org/10.1155/1990/86536.

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The dynamics of the Time-Dependent Fluorescence Shift (TDFS) of a rigid polar excited probe dissolved in alcohol solvents at different temperatures have been studied by picosecond time-resolved spectroscopy. The results are compared to previously published results on well characterized polar systems. These results show that solvation dynamics in such systems are strongly scaled by the microscopic (singleparticle) reorientation time τM of the solvent molecules and/or by the (macroscopic) longitudinal relaxation time τL of the solvent. The key point governing this scaling is the relative interaction between the solvent molecules and the probe compared to the interaction between the solvent molecules. It is also shown that specific interactions, such as hydrogen bonded-complex formation, may play an important role.

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Webb, Cameron, Swapnil Khadke, Signe Tandrup Schmidt, Carla B. Roces, Neil Forbes, Gillian Berrie et Yvonne Perrie. « The Impact of Solvent Selection : Strategies to Guide the Manufacturing of Liposomes Using Microfluidics ». Pharmaceutics 11, n^o 12 (4 décembre 2019) : 653. http://dx.doi.org/10.3390/pharmaceutics11120653.

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The aim of this work was to assess the impact of solvent selection on the microfluidic production of liposomes. To achieve this, liposomes were manufactured using small-scale and bench-scale microfluidics systems using three aqueous miscible solvents (methanol, ethanol or isopropanol, alone or in combination). Liposomes composed of different lipid compositions were manufactured using these different solvents and characterised to investigate the influence of solvents on liposome attributes. Our studies demonstrate that solvent selection is a key consideration during the microfluidics manufacturing process, not only when considering lipid solubility but also with regard to the resultant liposome critical quality attributes. In general, reducing the polarity of the solvent (from methanol to isopropanol) increased the liposome particle size without impacting liposome short-term stability or release characteristics. Furthermore, solvent combinations such as methanol/isopropanol mixtures can be used to modify solvent polarity and the resultant liposome particle size. However, the impact of solvent choice on the liposome product is also influenced by the liposome formulation; liposomes containing charged lipids tended to show more sensitivity to solvent selection and formulations containing increased concentrations of cholesterol or pegylated-lipids were less influenced by the choice of solvent. Indeed, incorporation of 14 wt% or more of pegylated-lipid was shown to negate the impact of solvent selection.

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Grama, Silvia, Jānis Lejnieks, Mojtaba Enayati, Rauan B. Smail, Liang Ding, Gerard Lligadas, Michael J. Monteiro et Virgil Percec. « Searching for efficient SET-LRP systems via biphasic mixtures of water with carbonates, ethers and dipolar aprotic solvents ». Polymer Chemistry 8, n^o 38 (2017) : 5865–74. http://dx.doi.org/10.1039/c7py01349c.

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Iliopoulos, Fotis, A. S. M. Monjur Al Hossain, Bruno C. Sil, David J. Moore, Robert A. Lucas et Majella E. Lane. « Topical Delivery of 3-O-ethyl l-ascorbic Acid from Complex Solvent Systems ». Scientia Pharmaceutica 88, n^o 2 (1 avril 2020) : 19. http://dx.doi.org/10.3390/scipharm88020019.

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3-O-ethyl l-ascorbic acid (EA), an ether derivative of Vitamin C, is widely used in skincare formulations. Previously, we reported the effects of neat solvents on EA percutaneous absorption and observed that 0.6–7.5% of the applied EA was delivered through the skin over 24 h. In this work, we designed complex formulations using combinations of solvents that may act synergistically and examined their impact on EA permeation in porcine skin in vitro under finite dose conditions. Binary combinations of propylene glycol (PG) with propylene glycol monolaurate (PGML) were effective in enhancing skin permeation of EA compared with individual solvents (p < 0.05). Combining PGML with 1,2-hexanediol (HEX) did not result in significantly higher EA permeation compared with the neat solvents (p > 0.05). Addition of the volatile solvent isopropyl alcohol (IPA) to PG solutions also did not improve EA skin delivery compared with neat PG. Ternary solvent systems containing PG:PGML were subsequently prepared by the addition of a lipophilic solvent, either isopropyl myristate (IPM), medium-chain triglycerides (MCT) or isostearyl isostearate (ISIS). The optimum vehicle, PG:PGML:IPM, promoted up to 70.9% skin delivery of EA. The PG:PGML:ISIS vehicles also promoted EA permeation across the skin, but to a significantly lesser extent than the IPM-containing vehicles. No enhancement of EA delivery was noted for the PG:PGML:MCT mixtures. These results will inform the development of targeted formulations for EA in the future.

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Cheng, Jiajie, Zhenjun Fan et Jingjing Dong. « Research Progress of Green Solvent in CsPbBr3 Perovskite Solar Cells ». Nanomaterials 13, n^o 6 (9 mars 2023) : 991. http://dx.doi.org/10.3390/nano13060991.

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In optoelectronic applications, all-Brominated inorganic perovskite CsPbBr3 solar cells have received a great deal of attention because of their remarkable stability and simplicity of production. Most of the solvents used in CsPbBr3 perovskite solar cells are toxic, which primarily hinders the commercialization of the products. In this review, we introduce the crystal structure and fundamental properties of CsPbBr3 materials and the device structure of perovskite cells, summarize the research progress of green solvents for CsPbBr3 PSCs in recent years from mono-green solvent systems to all-green solvent systems, and discuss the approaches to improving the PCE of CsPbBr3 PSCs, intending to facilitate the sustainable development of CsPbBr3 perovskite solar cells. Finally, we survey the future of green solvents in the area of CsPbBr3 perovskite solar cells.

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Zêzere, Bruno, Inês Portugal, José R. B. Gomes et Carlos M. Silva. « Modeling Tracer Diffusion Coefficients of Any Type of Solutes in Polar and Non-Polar Dense Solvents ». Materials 15, n^o 18 (15 septembre 2022) : 6416. http://dx.doi.org/10.3390/ma15186416.

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In this work, a simple two-parameters correlation based on the Rice and Gray, Lennard-Jones, and Stockmayer theories was devised for the calculation of binary diffusion coefficients (D12) of any type of solutes at infinite dilution in polar and non-polar solvents. This equation can be relevant for systems with polar solvents, since most models in the literature fail when strong intermolecular forces predominate in solution. The new correlation embodies the Stockmayer potential without requiring the dipole moments of any component, which significantly enlarges its application. It was validated with the largest D12 database of polar and non-polar dense systems, with 8812 data points (NDP) spanning 553 systems, of which 133 have water as solvent (NDP = 1266), 89 contain polar solvents excluding water (NDP = 1405), 177 have supercritical carbon dioxide (SC-CO2) as solvent (NDP = 5028), and 154 have non-polar or weakly polar solvents excluding SC-CO2 (NDP = 1113). Overall, the model achieved an average deviation of only 3.43%, with accurate and unbiased behavior even for polar systems.

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Chantadee, Takorn, Wichai Santimaleeworagun, Yaowaruk Phorom et Thawatchai Phaechamud. « Mixed Solvent-Lauric Acid Solvent-Exchange Induced In Situ Forming Gel ». Key Engineering Materials 819 (août 2019) : 195–201. http://dx.doi.org/10.4028/www.scientific.net/kem.819.195.

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Designing lauric acid (L) solvent-exchange induced in situ forming gel (ISG) was conducted in this study by using mixed solvents (N-methyl pyrrolidone (NMP), 2-pyrrolidone (PYR) and dimethyl sulfoxide (DMSO) at different ratios. The pH, density, viscosity, matrix formation, contact angle/surface tension and antimicrobial activities of 50% w/w L in mixed solvents were determined. The pH and density of solvent decreased apparently with L addition. More amount of PYR in the solvent mixture increased the density and viscosity. High viscous manner of PYR resulted in the high surface tension and contact angle. The solvent mixture of NMP/PYR promoted a higher contact angle than the other mixed solvent systems. L in DMSO, PYR or solvent mixture with high ratio of DMSO or PYR transformed into matrix-like rapidly while those in NMP or high ratio of NMP had slower matrix formation after exposure to aqueous fluid. NMP and PYR showed antimicrobial activities effectively against all test microbes while L matrix retarded their activities. The mixed solvent concept is interesting to use for designing ISG comprising L as matrix former to prolong the drug release.

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Weirich, Luisa, Juliana Magalhães de Oliveira et Christian Merten. « How many solvent molecules are required to solvate chiral 1,2-diols with hydrogen bonding solvents ? A VCD spectroscopic study ». Physical Chemistry Chemical Physics 22, n^o 3 (2020) : 1525–33. http://dx.doi.org/10.1039/c9cp06030h.

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Adie, PA, CO Ikese et EA Otache. « Comparative Extraction Performance of Solvent Systems in the Extraction and Characterization of Pectin from Prosopis Africana Seed Gum ». NIGERIAN ANNALS OF PURE AND APPLIED SCIENCES 3, n^o 3a (15 novembre 2020) : 93–98. http://dx.doi.org/10.46912/napas.200.

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Pectin was separately extracted in warm water bath from sun-dried and crushed Prosopis africana seed gum, using 0.05 M solutions of HCl, H2SO4, CH3COOH, C6H8O7 and a 3:2 blend of (H2SO4: C6H8O7). The physicochemical properties of pectin extracted from the Prosopis africana seed gum shows the following: colour varied from beige-brown to wheat brown, equivalent weight (1,818.18 mg/mol to 25,000 mg/mol), methoxyl content (0.124 % to 1.705 %), moisture content (12 % to 38 %) and ash content (2 %) for all the solvent system used. Also, the comparative solvent performance shows that the H2SO4:C6H8O7 solvent blend was the most effective for pectin extraction followed by the solvent HCl and H2SO4, while C6H8O7 was the least effective. The comparative pectin yield of Prosopis africana seed gum using selected acid solvent ranged from 6.94 % to 15.28 %. Among the solvents under study, the H2SO4:C6H8O7 solvent blend gave the highest pectin yield (15.28 %) with beige-brown, low methoxyl pectin of high purity and could be used as a functional food ingredient domestically and industrially

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KOBAYASHI, Toshikatsu. « Pigment Dispersion in Solvent Systems ». Journal of the Japan Society of Colour Material 77, n^o 8 (2004) : 375–79. http://dx.doi.org/10.4011/shikizai1937.77.375.

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Smith, Paul E., et B. Montgomery Pettitt. « Modeling Solvent in Biomolecular Systems ». Journal of Physical Chemistry 98, n^o 39 (septembre 1994) : 9700–9711. http://dx.doi.org/10.1021/j100090a002.

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Behr, Arno, et Reina Roll. « Hydroaminomethylation in thermomorphic solvent systems ». Journal of Molecular Catalysis A : Chemical 239, n^o 1-2 (septembre 2005) : 180–84. http://dx.doi.org/10.1016/j.molcata.2005.06.020.

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Duda, J. Larry, et James S. Vrentas. « Diffusion in polymer-solvent systems ». Journal of Polymer Science : Polymer Symposia 72, n^o 1 (8 mars 2007) : 299. http://dx.doi.org/10.1002/polc.5070720130.

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Ugwu, K. E., et P. O. Ukoha. « Impacts of Extraction Methods and Solvent Systems in the Assessment of Toxic Organic Compounds in a Solid Matrix ». Asian Journal of Chemistry and Pharmaceutical Sciences 1, n^o 1 (21 novembre 2016) : 23. http://dx.doi.org/10.18311/ajcps/2016/7523.

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Polycyclic Aromatic Hydrocarbons (PAHs) are among the listed persistent organic compounds (POP) which are pollutants of environmental concern due to their toxicity. This study evaluated soxhlet and ultrasonic extraction methods using a three-solvent system (acetone+dichloromethane+n-hexane) in order to compare the ability of the techniques to extract selected PAHs in raw coals collected from a coal mine in Okobo-Enjema, Nigeria. Then, binary solvent mixtures consisting of acetone+dichloromethane; dichloromethane+n-hexane; and acetone+n-hexane, were compared with the ternary solvent system for their ability to extract the target PAHs by soxhlet extraction method. The extracts were quantitatively analysed for sixteen PAHs using Gas Chromatography-Mass Spectrometer (GC-MS). Sonication extraction method extracted higher number of PAHs, required fewer amount of solvents, shorter time of extraction and less energy consumption compared to soxhlet extraction, which extracted higher amount of the target PAHs. The total amount of PAHs determined ranged from 0.02 mg/kg to 0.20 mg/kg in the various solvents' mixtures. The ternary mixture extracted larger quantities of the target toxic PAHs. This report will assist in the choice of analytical methods and solvent systems for environmental studies.

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Mu, Liwen, Yijun Shi, Long Chen, Tuo Ji, Ruixia Yuan, Huaiyuan Wang et Jiahua Zhu. « [N-Methyl-2-pyrrolidone][C1–C4 carboxylic acid] : a novel solvent system with exceptional lignin solubility ». Chemical Communications 51, n^o 70 (2015) : 13554–57. http://dx.doi.org/10.1039/c5cc04191k.

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Wang, Luoluo, Minchang Wang, Ying Kang, Yong Zhu, Hai Chang et Ning Liu. « Solubility Determination and Comprehensive Analysis of the New Heat-Resistant Energetic Material TNBP ». Molecules 28, n^o 6 (7 mars 2023) : 2424. http://dx.doi.org/10.3390/molecules28062424.

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To improve the crystal quality of 4,8-bis(2,4,6-trinitrophenyl)difurazolo [3,4-b:3′,4′-e] pyrazine (TNBP), the solubility of TNBP in organic solvents (six pure and four mixed solvents) was determined by the laser monitoring technique from 293.15 to 353.15 K. The results showed that the solubility was positively correlated with the increase in the experimental temperature and the main solvent content, except for the co-solvent phenomenon in the DMSO + ethyl acetate solvent mixture. To explain the dissolution behavior of TNBP, the KAT-SER model was analyzed for pure solvent systems, and it was found that hydrogen bonding alkalinity and self-cohesiveness were the main influencing factors. The free energy of solvation and radial distribution function of TNBP in mixed solvents were also obtained by molecular dynamics simulation, and the effect of solute–solvent and solvent–solvent interactions on the solubility trend was analyzed. The experimental data were correlated using three empirical equations (van’t Hoff equation, modified Apelblat equation, and λh equation), and the deviation analysis showed the good applicability of the modified Apelblat model. Furthermore, the dissolution of TNBP was heat-absorbing and not spontaneous, according to the thermodynamic characteristics estimated by the van’t Hoff equation.

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