Neat Solvents Research Articles

Diamine based hybrid-slurry system for carbon capture

Hybrid adsorption-absorption slurry systems are very attractive for CO2 capture, given their ability to simultaneously lower regeneration energy and increase absorption rate and uptake, because of enhanced mass and heat transfer mechanisms. In this work, novel hybrid slurries were formulated from the dispersion of 1 wt.% of solid adsorbents in a water-lean solvent of 30 wt.% of Tetramethyl-1,3-diaminopropane (TMPDA) + 10 wt.% Ethanol (EtOH) for CO2 capture. Different solid particles were suspended in the water-lean solvent such as activated carbon, ion-exchanged zeolite Y (Mg-Y), and polyethyleneimine doped silicas (PEI-SG and PEI-MCM-41). The CO2 uptake of the solid and fluid components of the slurries was confirmed by pH, density, and Fourier transform infrared analysis. The neat water lean solvent reduced the absorption energy by 16 % and slightly increased the CO2 uptake by 0.6 % compared to the aqueous TMPDA solvent. Additionally, the hybrid slurries exhibited further reductions in absorption energy of 10 – 30 % compared to the benchmark TMPDA-based solvents. The PEI-MCM-41-based slurry presented the highest CO2 uptake of 0.33 g CO2.g−1 and lowest regeneration energy of 2261.30 kJ.kg−1 among the studied systems. Additionally, the hybrid slurry exhibited a 21 % reduction in CO2 uptake compared to the benchmark 30 wt.% aqueous monoethanolamine (MEA) and similar capacity to aqueous methyl diethanolamine (MDEA), however, resulting in a far higher reduction in absorption enthalpy of 56 %, and 29 % compared to aqueous MEA and MDEA, respectively. The results obtained here encourage further development and optimization of hybrid slurry systems as potential efficient systems for CO2 capture.

Pyrene aggregation at unprecedented low concentrations in (lanthanide metal salt + urea) deep eutectic solvents.

We report intermolecular excimer formation by a common and popular polycyclic aromatic hydrocarbon pyrene at very low concentrations (low μM) when dissolved in deep eutectic solvents constituted of hydrated lanthanide salts and urea. Pyrene is not known to aggregate at such low concentrations in isotropic solvents and common liquids under similar conditions.

Protease-catalyzed synthesis of α-poly-L-Lysine and amphiphilic poly(L-lysine-co-L-phenylalanine) in a neat non-toxic organic solvent.

Subtilisin Carlsberg (alkaline protease from Bacillus licheniformis) catalyzes the syntheses of high molecular weights (ca. 20 KDa) cationic α-poly-L-lysine and amphiphilic poly(α-L-lysine-co-L-phenylalanine) in neat organic solvent. The synthesis is conducted in liquid 1,1,1,2-tetrafluoroethane solvent, which is a hydrophobic non-toxic gas that does not deplete the ozone layer and approved for pharmaceutical applications. Solubility of substrates and adequate protease activity in this system with low water environment limits the reaction of hydrolysis of the growing peptide chains. The pressurization of this organic compressed fluid to liquid has low-pressure requirements (25bar, 40 ºC), and its complete evaporation at atmospheric pressure after completing the reaction ensures solvent-free residues in products. The resulting polypeptides present null cytotoxicity according to MTT and NR analyses, as well as Calcein/EthD-1 assay in human cells.

Solubility Characteristics of Acetaminophen and Phenacetin in Binary Mixtures of Aqueous Organic Solvents: Experimental and Deep Machine Learning Screening of Green Dissolution Media

The solubility of active pharmaceutical ingredients is a mandatory physicochemical characteristic in pharmaceutical practice. However, the number of potential solvents and their mixtures prevents direct measurements of all possible combinations for finding environmentally friendly, operational and cost-effective solubilizers. That is why support from theoretical screening seems to be valuable. Here, a collection of acetaminophen and phenacetin solubility data in neat and binary solvent mixtures was used for the development of a nonlinear deep machine learning model using new intuitive molecular descriptors derived from COSMO-RS computations. The literature dataset was augmented with results of new measurements in aqueous binary mixtures of 4-formylmorpholine, DMSO and DMF. The solubility values back-computed with the developed ensemble of neural networks are in perfect agreement with the experimental data, which enables the extensive screening of many combinations of solvents not studied experimentally within the applicability domain of the trained model. The final predictions were presented not only in the form of the set of optimal hyperparameters but also in a more intuitive way by the set of parameters of the Jouyban-Acree equation often used in the co-solvency domain. This new and effective approach is easily extendible to other systems, enabling the fast and reliable selection of candidates for new solvents and directing the experimental solubility screening of active pharmaceutical ingredients.

MIL-101(Cr)@Fe3O4 nanocomposites as magnetic solid-phase extraction adsorbent for the determination of multiple mycotoxins in agricultural products by ultra-high-performance liquid chromatography tandem mass spectrometry

An efficient and fast magnetic solid phase extraction (MSPE) method was developed using MIL-101(Cr)@Fe3O4 nanocomposites as adsorbent for purification and enrichment of 9 mycotoxins in agricultural products. The successful synthesis of MIL-101(Cr)@Fe3O4 was confirmed via various characterization methods. Several key parameters affecting the performance of the MSPE procedure were extensively investigated including loading solution, elution solution and dosage of adsorbents. Under the optimal sample pretreatment conditions, the complex matrix effects from different agricultural products could be efficiently eliminated and the calibration curves constructed in neat solvent were directly used for the accurate quantification of these mycotoxins. Coupled with the analysis by ultra-high-performance liquid chromatography-tandem mass spectrometry, good linearity (R2 ≥ 0.991), high sensitivity (limit of quantification in the range of 0.08–0.20 μg kg−1), satisfactory recovery (83.5–108.5%) and acceptable precision (RSD, 1.6–10.4%) were obtained. The applicability of the validated method was further verified in real maize, wheat, watermelon and melon samples.

Development and Characterisation of a Topical Methyl Salicylate Patch: Effect of Solvents on Adhesion and Skin Permeation.

The advent of skin patch formulation design and technology has enabled the commercialisation of methyl salicylate (MS) as a topical patch. However, the most fundamental aspect of skin permeation is unknown at present. The study aims to investigate the effect of solvent choice on the skin permeation of MS in a neat solvent system and patch formulation with an emphasis on patch adhesion. MS in six selected solvents (propylene glycol (PG), Transcutol®, isopropyl myristate, Labrasol®, Plurol® oleique CC 497 and Maisine® CC) was characterised and in vitro permeation studies were also performed. An ATR-FTIR analysis on solvent-treated skin was conudcted. Patch formulation was prepared and characterised for adhesion, in vitro drug release and skin permeation studies. The highest MS permeation was found in neat PG over 24 h (~90 μg/cm2) due to its strong skin protein conformation effect. Transcutol® and isopropyl myristate showed better skin deposition and formulation retention, respectively. Nevertheless, PG enhanced the patch adhesion despite having a lower cumulative amount of MS permeated (~80 μg/cm2) as compared with Transcutol® and Maisine® (~110-150 μg/cm2). These two solvents, however, demonstrated better skin deposition and formulation retention but a lower patch adhesion. The unpredictable influence of the solvent on patch adhesion highlights the importance of the trade-off between patch adhesion and skin permeation during formulation design.

Dyeing Non-Recyclable Polyethylene Plastic with Photoacid Phycocyanobilin from Spirulina Algae: Ultrafast Photoluminescence Studies.

Despite the enormous environmental damage caused by plastic waste, it makes up over one-third of globally produced plastics. Polyethylene (PE) wastes have low recycling but high production rates. Towards the construction of ionic solar cells from PE, the present work describes the loading of a bioactive photoacid phycocyanobilin (PCB) dye from the pigment of Spirulina blue-green algae (as a natural resource) on low-density polyethylene (LDPE) plastic film. Dyeing was confirmed by X-ray photoelectron spectroscopy (XPS). Upon excitation of the Soret-band (400 nm), the photoluminescence (PL) spectra of PCB in neat solvents revealed two prominent emission peaks at 450-550 and 600-700 nm. The first band assigned to bilirubin-like (PCBBR) species predominated the spectral profile in the highly rigid solvent glycerol and upon loading 0.45 % (w/w) of the dye on plastic. The photoluminescence excitation (PLE) spectra of PCB for the second region (Q-band) at 672 nm in the same solvents confirmed the ground state heterogenicity previously associated with the presence of PCBA (neutral), PCBB (cationic), and PCBC (anionic) conformers. Time-resolved photoluminescence (TRPL) measurements induced via excitation of all PCB species at 510 nm in methanol revealed three-lifetime components with τ1 = ~0.1 ns and τ2 = ~2 ns associated with PCBBR species and τ3 = ~5 ns pertinent to the long-living photoproduct X*. Decay-associated spectra (DAS) analysis of the photoluminescence transient spectra of the final dyed films in the solid-state confirmed the improved generation of the long-living photoproduct as manifested in a significant increase in the PL intensity (~100-fold) and lifetime value (~90 ns) in the Q-region upon loading 6.92 % (w/w) of the dye on plastic. The photoproduct species were presumably assigned to the deprotonated PCB species, suggesting improved ionic mobility. The potential implementation of the PCB-sensitized PE solid wastes for the fabrication of ionic solar cells is discussed.

Solubility of mesalazine in aqueous solutions of two betaine-based deep eutectic solvents at different temperatures: Data correlation and thermodynamic analysis

Temperature-dependent solubility data for mesalazine in the cosolvency systems composed of water and deep eutectic solvents (DESs) obtained from betaine as a hydrogen bond acceptor and ethylene glycol (EG) or propylene glycol (PG) as hydrogen bond donors were determined by a shake flask technique at 293.15–313.15 K under atmospheric pressure (≈ 85 kPa). Based on the results, type of hydrogen bond donor plays an important role in solubilization power of DESs for mesalazine; so that, the values of mesalazine solubility in betaine/EG DES + water mixtures were higher than that the other. It was also found that the solubility of mesalazine in the investigated mixtures increased by increasing mass fractions of DESs as well as enhancing temperature reaching to the maximum values in neat DESs at 313.15 K. The Hansen solubility parameters for mesalazine, neat solvents of betaine/EG or betaine/PG DESs and water were calculated to predict the solubility of drug in the investigated systems. Moreover, X-ray powder diffraction was served to analyze the equilibrium solid phase crystal of mesalazine and the results turns out that no polymorphic transformation or crystal transition during the whole solvent crystallization process. The solubility data were then represented with some cosolvency models (Jouyban-Acree, Jouyban-Acree-van’t Hoff and so on) and activity coefficient models (NRTL, Wilson and UNIQUAC). According to the calculated percentage averaged relative deviations (ARD%) for back-calculated data, all the studied models present good correlation. Additionally, an endothermic and enthalpy-driven process for mesalazine dissolution in aqueous mixtures of betaine-based DESs obtained from apparent thermodynamic analysis.

Insight into the release mechanisms of diflunisal and salicylic acid from poly(vinyl alcohol). The role of hydrogen bonding interactions.

Diflunisal (5-(2,4-Difluorophenyl)salicylic acid, DIF), salicylic acid (SAL) derivative, which, on the one hand, is active pharmaceutical ingredient, on the other hand, belongs to the compounds exhibiting excited-state intramolecular proton transfer (ESIPT) behaviour was used to study the drug interactions with poly(vinyl alcohol) (PVA) matrix. For clarifying the nature and mechanisms of the drug-matrix interactions the salicylic acid (SAL) molecule was selected as the model active ESIPT compound, whose physicochemical properties in different media are well understood. The solute–solvent interactions (non-specific (dipole–dipole) versus specific (hydrogen bonding)) of DIF and SAL with different neat solvents were investigated using the steady-state spectroscopic technique. The solvent effect on spectral behaviours of DIF and SAL was analyzed based on the parametric solvent scales. In order to identify functional groups in the PVA matrices, determine the structure present in the studied molecule-PVA system and thus obtain information about the potential interactions between PVA and the studied molecules, the Raman spectra of pure PVA, SAL-PVA and DIF-PVA systems were measured. It has been shown that the molecular structure of the active substance entrapped in the polymer matrix affects the structure of the polymer, i.e., isotactic (SAL-PVA) versus syndiotactic (DIF-PVA) structure. The analysis of drug release kinetics revealed that the DIF is more strongly bound to PVA in comparison to SAL, which confirms conclusions drawn from the analysis of the Raman spectra i.e., the isotactic structure of SAL-PVA material results in a faster initial release process of weakly bound, located on the surface of the polymer SAL molecules.

Caffeine solubility in aqueous solutions of polyethylene glycol dimethyl ether 250: measurement and thermodynamic modeling

ABSTRACT Molar solubility of caffeine in polyethylene glycol dimethyl ether 250 (PEGDME 250) + water mixtures over all mass fractions of PEGDME 250 were determined at 293.15–313.15 K under atmospheric pressure (≈ 85 kPa). The crystal forms of the caffeine in equilibrium with neat solvents of PEGDME 250 and water were analysed using X-ray powder diffraction and the results compared with the original caffeine. Also, the Hansen solubility parameters of caffeine and PEGDME 250 + water mixtures in the absence of caffeine were predicted. The studies of apparent thermodynamic analysis presented an endothermic and enthalpy-driven dissolution of caffeine. Moreover, the solubility of caffeine were correlated using various models; the van’t Hoff, mixture response surface, Jouyban–Acree, Jouyban–Acree–van’t Hoff, the modified version of Jouyban–Acree–van’t Hoff, the CNIBS/R-K, the Buchowski–Ksiazczak, the modified Wilson and modified Wilson–van’t Hoff models, acquiring average relative deviation values that were lower than 14.7%.

Theoretical Prediction of Freezing Point Depression of Lithium-Ion Battery Electrolytes

Understanding and predicting the freezing point depression of liquid electrolytes is of interest particularly for low-temperature battery applications. We will present a computational methodology to calculate activity coefficients and the freezing point depression of liquid electrolytes relevant to Li-ion batteries. Theoretical expressions for Born solvation, Debye-Huckel ion atmosphere effects and solvent entropy are used with results from classical molecular dynamics simulations and electronic structure methods to calculate the activity coefficients of liquid electrolytes. Using the calculated activity coefficients as well as neat solvent properties, liquidus lines of the studied electrolytes are obtained up to 1 molal. The liquid electrolytes studied include LiPF6 in dimethyl carbonate and LiPF6 in propylene carbonate. It is found that the more significant freezing point depression of the propylene carbonate-based electrolyte versus dimethyl carbonate-based electrolyte originates in large part from the much higher dielectric constant of propylene carbonate versus dimethyl carbonate.

Ascorbic Acid Solubility and Thermodynamic Characteristics in Several Neat Solvents with Temperatures Ranging from 293 to 313 K

Ascorbic Acid Solubility and Thermodynamic Characteristics in Several Neat Solvents with Temperatures Ranging from 293 to 313 K

Experimental determination and correlation of naproxen solubility in biodegradable low-toxic betaine-based deep eutectic solvents and water mixtures at 293.15 K to 313.15 K

For enhancement the low bioavailability of poorly water-soluble naproxen, three deep eutectic solvents (DESs) obtained from betaine as a hydrogen bond acceptor and propylene glycol, ethylene glycol or glycerol as a hydrogen bond donor (Bet/PG, Bet/EG or Bet/Gly DESs) are utilized from 0.0 to 1.0 mass fractions of DESs at T = (293.15–313.15) K under atmospheric pressure (≈ 85 kPa). The solubility values tend to enhance with enhancing mass fraction of each DES as well as increasing temperature and the maximum values are obtained in the highest mass fraction of DESs at 313.15 K. Besides, the Hansen solubility parameters are used to predict the selection of appropriate cosolvent system; the results indicated that the Bet/PG DES is a proper cosolvent for naproxen solubilization. Moreover, the equilibrated solid phase crystal of naproxen with neat solvents is characterized with X-ray powder diffraction analysis to identify no polymorphic transformation, solvate formation or crystal transition during the whole solvent crystallization process. In addition, the experimental solubilities are correlated with the temperature dependency of traditional cosolvency models including Jouyban-Acree, Jouyban-Acree-van't Hoff and modified Wilson-van't Hoff together with the activity coefficient models of NRTL, Wilson and UNIQUAC. The accuracies of the calculated solubilities are evaluated by calculation of the mean relative deviation (MRD%) and the results suggested that the Jouyban-Acree (MRD% ≤ 8.9) along with the NRTL activity coefficient model (MRD% ≤ 2.0) are more accurate than the others. Finally, the respective apparent thermodynamic quantities of the dissolution and mixing processes, namely Gibb's energy, enthalpy, and entropy are calculated based on the van't Hoff and Gibbs equations.

Spectrophysics of Coumarin-Based Chromophore

In this work, we comprehensively explore the spectral and photophysical properties of a coumarin-based dye (1) in neat solvents. The modulation of stokes shifts, emission quantum yields (ФF) and excited-state lifetimes of 1by local environment (polarity, polarizability, viscosity and hydrogen bonding) signifies the formation of intramolecular charge state (ICT) from the amino group to the coumarin moiety. Collectively, in the more viscous polar solvents the rotation of the amino group is restricted, exponentially decreasing the non-radiative rate constants (knr). Keywords :#SPECTROPHYSICS #INTERMOLECULAR_CHARGE_TRANSFER #NON-RADIATIVE_RATE_CONSTANT #EXCITED-STATE_LIFETIME #LOCAL_ENVIRONMENT.

Quantitative surface analysis of paclobutrazol molecule and comprehensive insight into its solubility in aqueous co-solvent solutions

As powerful tools, the minimum negative surface electrostatic potential together with minimum surface average local ionization energy, were used herein to illustrate the electrostatic characteristics of acidity and basicity at a microscopic level, correspondingly. The groups of -N = and –OH of the paclobutrazol molecule are primary sites of electrophilic and nucleophilic attack. The mole-fraction solubility of paclobutrazol in three co-solvent blends of isopropanol + water, acetone + water and acetonitrile + water covering the temperature range from 278.15 to 318.15 K was experimentally acquired by the use of isothermal saturation method under 101.2 kPa. Under the identical experimental conditions, e.g. same temperature and mass composition of isopropanol (acetone or acetonitrile), the solubility of paclobutrazol in mole fraction was much larger in acetone + water blends than in isopropanol/acetonitrile + water blends. The minimal solubility was recorded in neat water solvent at 278.15 K; and the maximal one, in acetone/acetonitrile/isopropanol at T = 318.15 K. No appearance of crystaltransition as well as solvate formation was observed in experiments as indicated by X-ray power diffraction patterns. Solubility data were mathematically correlated by three models including Jouyban-Acree, Apelblat and modified van’t Hoff-Jouyban–Acree. Investigation on preferential solvation of crystalline paclobutrazol was performed by the powerful approach of inverse Kirkwood–Buff integrals at 298.15 K. The preferential solvation parameters of isopropanol, acetone or acetonitrile presented positive values in blends with middle and isopropanol/acetone/acetonitrile-rich composition regions, which indicated the preferential solvation of paclobutrazol by the co-solvents. In addition, the extended Hildebrand solubility approach was employed to quantitatively describe the solubility behavior at 298.15 K in isopropanol/acetone/acetonitrile + water blends studied in this paper and in ethanol/n-propanol/1,4-dioxane + water blends previously reported by us, attaining the average relative deviations < 7.61 %.

Solubility of Bosentan in Polyethylene Glycol 400 + Water Mixtures: Experimental and Mathematical Computations

Background: To discover the optimal solvent amounts for using in a particular application, it is vital to achieve some useful information in regard with suitable neat or mixed solvent and drugs equilibrium solubility in them. It is known that the low solubility of drugs such as bosentan (BST) in water negatively effects in vitro and in vivo kinetics of dissolution, affecting in turn its bioavailability along with making several difficulties around designing its liquid formulations. Methods: Solubility of BST in some mixtures of polyethylene glycol 400 (PEG 400) and water was experimentally determined at T = (293.15 to 313.15) K by using a common shake-flask technique followed by UV-visible spectroscopic method. The experimental solubility data in PEG 400 mass fraction (w1) of 0.0 to 1.0 at 298.15 K and in w1=0.0, 0.5 and 1.0 at other temperatures were then correlated by cosolvency models including the Jouyban-Acree, the Jouyban-Acree-van’t Hoff, and the double log-log models and some un-measured solubility data were predicted based on the obtained trained models. Results: The results presented that the aqueous solubility of BST is increased by increasing mass fraction of PEG 400 as well as increasing temperature and reached the maximum value in neat PEG 400 at 313.15 K. Conclusion: The BST solubility in water improved by addition of PEG 400 into it. According to the average relative deviations obtained from the back-computed data with trained models which were &lt; 8.0%, it concluded that the selected models were able to predict the un-measured data with high reliability.

Equilibrium Solubility of 5-Nitrosalicylic Acid in Different Neat Solvents Ranging from 278.15/288.15 to 323.15 K and Its Solvent Effect

Equilibrium Solubility of 5-Nitrosalicylic Acid in Different Neat Solvents Ranging from 278.15/288.15 to 323.15 K and Its Solvent Effect

Dissolution behavior of 5-fluorouracil in fourteen neat solvents: Solubility, correlation, solvent effect, Hansen solubility parameter, molecular simulation and thermodynamic analysis

A dynamic laser monitoring was used to determined the solubility of 5-fluorouracil at T = (283.15, 288.15, 293.15, 298.15, 303.15, 308.15, 313.15, 318.15 and 323.15) K in 14 solvents, including methanol, water, ethanol, butyric acid, 1-propanol, propionic acid, i-propanol, 1-butanol, acetic acid, i-butanol, formic acid, 1-pentanol, i-amyl alcohol and DMF at P = 0.1 MPa. When the temperature changes from T = (283.15 K − 323.15 K), the solubility values of 5-fluorouracil in 1-butanol, water, ethanol, i-propanol, i-butanol, 1-pentanol, i-amyl alcohol, formic acid, acetic acid, propionic acid, butyric acid, methanol, DMF and 1-propanol were 0.001013–0.003101, 0.001102–0.003452, 0.002022–0.004510, 0.000549–0.002472, 0.000629–0.002615, 0.000791–0.002863, 0.000714–0.002756, 0.000481–0.002382, 0.000413–0.002198, 0.000374–0.002139, 0.000247–0.001427, 0.003130–0.007874, 0.003442–0.014331 and 0.001836–0.004646. It can be seen from the experimental results that the solubility of 5-fluorouracil in all solvents increases with the increase of temperature. Hansen solubility parameter studies the dissolution behavior of 5-fluorouracil in the tested solvents. The Kamlet-Taft parameters were used to discuss the solvent effects. Moreover, the molecular modeling studies were conducted in the paper. Subsequently, the solubility values were corrected by the modified Apelblat equation, Two-Suffix Margules model, NRTL model and Wilson model. Finally, the thermodynamic properties of Gibbs energy, enthalpy and entropy were calculated by the van’t Hoff and Gibbs equations.

A Revisit on Impulsive Stimulated Raman Spectroscopy: Importance of Spectral Dispersion of Chirped Broadband Probe.

The usefulness of a chirped broadband probe and spectral dispersion to obtain Raman spectra under nonresonant/resonant impulsive excitation is revisited. A general methodology is presented that inherently takes care of phasing the time-domain low-frequency oscillations without probe pulse compression and retrieves the absolute phase of the oscillations. As test beds, neat solvents (CCl4, CHCl3, and CH2Cl2) are used. Observation of periodic intensity modulation along detection wavelengths for particular modes is explained using a simple electric field interaction picture. This method is extended to diatomic molecule (iodine) and polyatomic molecules (Nile blue and methylene blue) to assign vibrational frequencies in ground/excited electronic state that are supported by density functional theory calculations. A comparison between frequency-domain and time-domain counterparts, i.e., stimulated Raman scattering and impulsive stimulated Raman scattering using degenerate pump-probe pairs is presented, and most importantly, it is shown how impulsive stimulated Raman scattering using chirped broadband probe retains unique advantages offered by both.

Solubility, MD simulation, thermodynamic properties and solvent effect of perphenazine (Form I) in eleven neat organic solvents ranged from 278.15 K to 318.15 K

Perphenazine has rather effective in the treatment of mental illness. In this work, the solid-liquid equilibrium data of perphenazine in eleven organic neat solvents were determined by laser dynamic method under the atmospheric pressure and temperature range of 278.15 K ∼ 318.15 K. The selected solvents were n-propanol, n-butyl alcohol, methyl acetate, ethyl acetate, n-propyl acetate, n-amyl acetate, N, N-dimethylformamide (DMF), N, N-dimethylacetamide (DMAC), acetone, 2-methoxyethanol, glycol ether, respectively. From the results, the solubility of perphenazine is all positively correlated with temperature. Separately, we have adopted the KAT-LSER model and molecular dynamics simulation to investigate the influence of solvent effects and solute-solvent interaction on solute solubility. Meanwhile, there were four activity coefficient models being used to correlate the solubility data and Average relative deviation of models are 4.13% (Margules model), 3.94% (NRTL model), 4.49% (NRTL-SAC model) and 3.06% (UNIQUAC model), respectively, all of which do not exceed 5%. It manifests that the four activity coefficient models can fit the experimental values well, in which the UNIQUAC model gives the best regression effect. Moreover, the apparent thermodynamic properties(△solG°, △solH° and △solS°) of perphenazine in various solvents were calculated by Van’t Hoff equation. In accordance with the analysis and calculation of dissolution, the dissolution process is an endothermic entropy-driven process. This research can provide basic data for the crystallization process of perphenazine.