NRTL Equation Research Articles

Thermodynamic modelling, Hansen solubility parameter and solvent effect of palbociclib in fourteen pure solvents at different temperatures

The solubility of palbociclib in fourteen organic solvents (chlorobenzene (MCB), N,N-dimethylformamide (DMF), pyridine (Py), anisole (An), ethyl acetate (EA), dimethyl sulfoxide (DMSO), tetrahydrofuran (THF), acetone (DMK), water, toluene (PhMe), methanol (MeOH), o-xylene (OX), ethanol (EtOH) and m-xylene (MX)) was determined using a laser monitoring method at atmospheric pressure in this work. The measured temperature range for all selected solvents is 293.15 K to 333.15 K. The holistic solubility profile showed that palbociclib solubility in all measured solvents was proportional to the increasing of test temperature. It was also found that the mole-fraction solubility values of palbociclib in measured solvents exhibited a sequence of: Py > THF > DMSO > DMF > DMK > PhMe > MCB > MX > OX > EtOH > EA > An > MeOH > water. Four mathematical equations were employed to correlate the solubility data including the modified Apelblat equation, λh equation, NRTL equation and Wilson equation, with the modified Apelblat equation giving the best regression. Solubility order of palbociclib in fourteen solvents was analyzed by using the Hansen solubility parameter (HSP) and the solvent effect (solvent interaction) was investigated through correlating palbociclib solubility in selected solvents based on KAT-LSER model. Finally, the thermodynamic properties of ΔmixG, ΔmixH, ΔmixS, ΔdisH, ΔdisG and ΔdisS of palbociclib in different solvents were computed based on measured solubility values and Wilson equation. The results demonstrated that the dissolution process was entropy-driven and favorable process.

Process simulation and evaluation for NH3/CO2 separation from melamine tail gas with protic ionic liquids

Melamine production is known to produce a tail gas with a significant amount of NH3 and CO2. The most common separation methods applied to melamine tail gas are water scrubbing and urea co-production technology. With good stability, non-volatility and tailored properties, ionic liquids (ILs) are regarded as vital potential solvents for gas separation. Therefore, two new process technologies, one is the ionic liquid-based process (IL-0), and the other is the enhanced ionic liquid process (IL-En) was employed and evaluated for energy and cost efficiency. The IL-En employs stripping on the treatment of melamine tail gas. The protic ionic liquid named 1-butyl imidazolium bis (trifluoromethylsulfonyl) imide ([Bim][NTf2]) was selected for the evaluation of the melamine tail gas cleaning process. Thermodynamic data were fitted to the NRTL equations. Three full process flowsheets were simulated in Aspen Plus V11 TM. A basic and an enhanced ionic liquid process (IL-0 and IL-En), a conventional water scrubbing (WS) technology as a comparison, process sensitivity analysis and energy/economic evaluation were carried out. The results showed that the total separation cost of the IL-En can be reduced by 61% compared to that of the WS process. Moreover, the IL-based flowsheet is simpler than WS and avoids wastewater discharge.

VLE measurement of binary systems containing imidazolium ionic liquids and water or ethanol

Experimental VLE data for binary systems of ethanol or water with three 1-ethyl-3-methylimidazolium ionic liquids (ILs) containing different anions were measured at normal pressure using the Siwoloboff procedure. ILs selected in this study were those that appear to be suitable for the ethanol−water mixture separation by extractive distillation. Measured vapor–liquid equilibria were described by the extended Raoult's law with components activity coefficients calculated using the NRTL equation. Detailed analysis of the VLE data is presented in form of equilibrium diagrams, variation of activity coefficients with mixture composition and thermodynamic consistency tests. Experimental t–x data were measured within a wider range of the binary mixture compositions and compared to those found in literature. Boiling point temperature measurement of binary mixtures (adapted Siwoloboff procedure) provided comparable results to those obtained applying conventional methods of VLE estimation (circulation method, ebulliometric measurement, etc.). Reliability and thermodynamic consistency of experimental data obtained using the adapted Siwoloboff procedure for high ILs’ content (high temperature) were affected by the accuracy of the temperature measurement. However, the trend of these experimental data is useful for VLE description in concentration regions where usually only coarse extrapolation is applied. Experimental data obtained for a wide binary mixture composition range (IL content of more than 70 mole%) seem to be more suitable for binary and ternary VLE description in separation equipment simulations, e.g. extractive distillation columns.

Modelling of Liquid-Liquid Equilibria Using NRTL and UNIFAC Equations in the Extraction of Bio-Oil-Based Phenolics Produced from the Pyrolysis of Sugarcane Bagasse

An exploration on renewable energy resources has been paid more attention due to the depletion of the fossil-based energy resource. In addition, their safe and environmentally friendly properties have attracted experts’ interest. One of the renewable energy resources is the bio-oil produced from sugarcane bagasse. The bio-oil was produced through a pyrolysis at 500°C. However, the produced bio-oil showed a high content of phenolics, c.a. 40-60%. A liquid-liquid extraction to remove the phenolics using methanol-chloroform solvents would be beneficial to improve the stability of the bio-oil as well as to obtain high purity phenolics. Modelling of the liquid-liquid equilibria in the extraction was then developed using NRTL and UNIFAC equations. The empirical quantitative data of phase equilibrium system were calculated on both the extract and raffinate phases. The lowest RMSD value of 0.043160 was obtained from the calculations using NRTL equation at an extraction temperature of 50°C. Thus, the most suitable model was achieved using NRTL equation.

Solid-liquid equilibrium of ropivacaine in fourteen organic solvents: An experimental and molecular simulation study

The solubility of ropivacaine in fourteen pure solvents at 283.15 K to 323.15 K was determined via the gravimetric method and was well correlated with three thermodynamic models, including the Apelblat, λh, and NRTL models. Among all experimental solvents, the solubility of ropivacaine was found to be highest in pure THF and lowest in acetonitrile. In alcohol solvents, the maximum solubility was observed in amyl alcohol followed by 1-butanol, while the minimum value was observed in 1-propanol. The thermodynamic properties of mixing were calculated based on the NRTL equation, indicating that the mixing processes are spontaneous and entropy-driven. In addition, the crystal structure of ropivacaine was obtained and investigated by Hirshfeld surface analysis and molecular electrostatic potential surface analysis. The physicochemical properties of solvents, such as polarity, cohesive energy density and dielectric constant, were analyzed to explain the solid–liquid behavior of ropivacaine. Finally, a molecular dynamics simulation and radial distribution function analysis were performed. The results indicated that ropivacaine could interact with organic solvents via van der Waals interactions, electrostatic interactions, and hydrogen bonding.

Revealing the dissolution behavior of trans-p-methoxycinnamic acid in 12 organic solvents by parametric model and molecular simulation

trans-p-Methoxycinnamic acid (t-PMCA) is a cinnamic acid derivative with various pharmacological effects such as anti-colon cancer, antifungal, hepatoprotective, hypoglycemic, etc. In this paper, the solubilities of t-PMCA in 12 organic solvents were determined in the range of 283.15 K-323.15 K using gravimetric method. The solubility of t-PMCA increased with the increasing of temperature. Meanwhile, the experimental solubility data were verified and correlated using four thermodynamic models (Apelblat equation, λ h equation, Van’t Hoff equation and NRTL equation), and the relative standard deviations (ARD%) were all less than 7%. The simulated data agree well with those experimental data. In addition, the Hansen solubility parameter model and solvent properties were used to explain the dissolution behavior of t-PMCA in 12 organic solvents. The results showed that the dissolution behavior of t-PMCA was not determined by a single factor, but was the result of the comprehensive effect of various solubility parameters. In order to reveal the dissolution behavior of t-PMCA, the single-crystal structure of t-PMCA was analyzed, and molecular simulations (including Hirshfeld surface analysis, surface electrostatic potential, and radial distribution function) were performed, which showed that H⋯H and O⋯H contacts play a dominant role in the crystal arrangement and that there are hydrogen bonding interactions between t-PMCA and solvent molecules. Finally, the thermodynamic properties (ΔmixG, ΔmixH, and ΔmixS) of t-PMCA during the mixing process were calculated using the NRTL equation, and the results indicated that it is an entropy-driven spontaneous process.

Effect of phosphorus P-π bonding on the volumetric properties and vapor-liquid equilibrium of phosphorus trichloride-benzene liquid mixtures

New density and vapor–liquid equilibrium data of PCl3-benzene binary system at atmospheric pressure (99.7–101.3 kPa) were carefully measured to provide crucial information for their industrial reaction and separation. The experimental mixture densities show excellent linear dependence on both solution composition and temperature and a generalized empirical correlation is proposed with an average relative deviation of 0.13%. The specific attractive P-π interaction between the phosphorus atom of PCl3 and the π cloud of benzene seems to be quite strong in solution, leading to large negative excess volumes. But the π-π antibonding effect from benzene dimers are predominant in PCl3 highly dilute solution, where positive excess volume and excess partial molar volumes of PCl3 were observed. Experimental bubble points of the binary mixture were corrected to those under 101.325 kPa. Two distinctive methods of coexistence equation and activity coefficient models of Wilson and NRTL equations were applied to model the VLE data, and they yielded very consistent results. Although no azeotrope were found, this mixture exhibited quite low relative volatility.

Thermodynamic characterization of {1-ethyl-1-methyl-pyrrolidinium dimethylphosphate, [C1C2PYR][DMP], or 1-hydroxyethyl-1-methylpyrrolidinium dimethylphosphate, [C1C2OHPYR][DMP] (1) + ethanol (2)} binary systems

In this work, {1-ethyl-1-methylpyrrolidinium dimethylphosphate, [C1C2PYR][DMP], or 1-hydroxyethyl-1-methylpyrrolidinium dimethylphosphate, [C1C2OHPYR][DMP] (1) + ethanol (2)} binary systems were studied as an alternative working pair for the absorption heat pump cycle. It is well known that the knowledge of the thermodynamic properties of the working fluid used plays a key role in the coefficients of performance values, and thus in the efficiency of the apparatus. Therefore, in this work thermodynamic and physicochemical characteristics of ethanol solutions of two dimethylphosphate-based ionic liquids are presented. The isothermal VLE was measured by an ebulliometric method within a temperature range from T = (328.15 to 348.15) K with an increment of 10 K and pressures up to 90 kPa. Experimental VLE data have been successfully correlated using the NRTL equation using temperature-dependence parameters. Additionally, experimental VLE data were tested for thermodynamic consistency using the Van Ness test. The liquid density and dynamic viscosity were determined as a function of IL's mole fraction over a wide composition range at temperature from T = (293.15 to 338.15) K with an increment of 5 K at ambient pressure. For the correlation of physicochemical properties, empirical equations were applied. From experimental density data, the excess molar volumes were determined and correlated using the Redlich – Kister type equation. Additionally, thermophysical properties of pure ILs including glass transition temperature, heat capacity at glass transition, temperature and enthalpy of (solid + solid) phase transition as well as temperature and enthalpy of melting were determined using differential scanning calorimetry (DSC) technique. Data presented in this work, compared to the available literature data for ethanolic solutions of other dimethylphosphate-based ILs, allows discussing the impact of the IL's cation structure on the presented physicochemical and thermodynamic properties. In addition, the data presented in this work were compared to data for a water solution of lithium bromide, commercially used in absorption refrigeration technology.

Solubility of H2S under Haloalkaliphilic Conditions: Experimental Measurement and Modeling with the Electrolyte NRTL Equation

Solubility of H₂S under Haloalkaliphilic Conditions: Experimental Measurement and Modeling with the Electrolyte NRTL Equation

Measurement and comprehensive analysis of the solubility of abacavir in twelve pure solvents

The solubility of abacavir in twelve pure solvents (methanol, ethanol, n-propanol, i-propanol, n-butanol, 2-butanol, i-butanol, n-pentanol, water, methyl acetate, ethyl acetate and acetone) was measured by high-performance liquid chromatography (HPLC) at the temperature range of (278.15 to 323.15) K under 101.1 kPa. In the temperature range studied, the solubility of abacavir in selected solvents increased with the rising temperature and the solubility sequence of abacavir at 298.15 K was n-pentanol > n-propanol > 2-butanol > n-butanol > i-butanol > methanol > ethanol > i-propanol > acetone > methyl acetate > ethyl acetate > water. To explain the dissolution behavior of abacavir, the molecular electrostatic potential (MEP) and solvation free energy of abacavir were analyzed by density functional theory (DFT), while the Hansen solubility parameters and KAT-LSER model were introduced to analyze the molecular similarity and the solvent effect, respectively. In addition, three semi-empirical models (modified Apelblat equation, van't Hoff equation and λh equation) and three local composition models (Wilson equation, NRTL equation and UNIQUAC equation) were used to correlate the experimental solubility data of abacavir, and four indicators of relative deviation (RD), average relative deviation (ARD), root-mean-square deviation (RMSD) and coefficient of determination (R2) were introduced to evaluate the correlated data. The results showed that the modified Apelblat equation had the highest accuracy among the semi-empirical models; the NRTL equation was the most representative among the local composition models and had the best goodness-of-fit among all the solubility models. Furthermore, the mixing thermodynamic properties (ΔmixG, ΔmixH and ΔmixS) estimated by NRTL equation indicated that the mixing process of abacavir in selected solvents was spontaneous, exothermic and driven by enthalpy.

Thermodynamic analysis of the solubility of clozapine in organic solvents

The solid-liquid equilibrium solubility of clozapine in eighteen organic solvents (i.e., methanol, ethanol, n-propanol, i-propanol, n-butanol, i-butanol, s-butanol, n-pentanol, i-pentanol, acetone, 2-butanone, acetonitrile, N, N-dimethylformamide, tetrahydrofuran, chloroform, ethyl formate, methyl acetate, and ethyl acetate) was determined using a gravimetric method over a temperature ranging from 278.15 K to 323.15 K at atmospheric pressure. The modified Apelblat equation, λh equation, NRTL equation, and Wilson equation were selected to correlate the solubility data. The fitting degree of thermodynamic models was evaluated by the relative average deviation, and root mean root mean square deviation. Dissolution properties, including enthalpy, entropy, and Gibbs energy changes of clozapine were evaluated by the Wilson model. The solubility data, thermodynamic parameters and dissolution properties for clozapine will be of crucial guiding value for the optimization of the industrial crystallization process.

Uncovering the solid-liquid equilibrium behavior of 6-Chloronicotinic acid in eleven pure solvents by thermodynamic analysis and molecular dynamic simulation

The structure and properties of 6-Chloronicotinic acid (6-CNA) were investigated both in solid and solution phases. Hirshfeld surface analysis has been employed to analyze the intermolecular contacts with the crystal structure. The dipole moment of 6-CNA was calculated to judge the strength of polarity. The solid-liquid equilibrium behavior of 6-CNA in eleven pure solvents (methanol, 1-propanol, isopropyl alcohol, 2-butanol, isobutyl alcohol, methyl acetate, ethyl acetate, acetone, 2-butanone, acetonitrile and 1,4-dioxane) was determined at temperature from 283.15 to 323.15 K by gravimetric method. The modified Apelblat equation, van't Hoff equation, NRTL equation and λh equation were applied to mathematically describe the relationship between temperature and solubility and the ARD% was used to test the accuracy of the four equations. In addition, the mixing thermodynamic properties calculated based on the NRTL model shows that the mixing process is spontaneous and endothermic. Besides, multiple factors including solvent polarity, hydrogen bond donor propensity and hydrogen bond acceptor propensity were applied to analyze the solubility of 6-CNA in different solvents. In the last, molecular dynamic simulation including solvation free energy and radial distribution function (RDF) analysis have been furthermore employed to analyze the solute-solvent interactions and the results show that solute-solvent interaction plays important role in solid-liquid phase equilibrium.

Determination and correlation of binary molten solid–liquid equilibria of tetramethyl biphenyl isomers

Three binary molten phase diagrams of three isomers of tetramethyl biphenyl (TMB) were constructed by differential scanning calorimetry (DSC) at 101.3 kPa. Our results reveal that the tetramethyl biphenyl isomers binary system presents a eutectic behaviour that lays a solid foundation for its separation technology. Meanwhile, the thermodynamic model such as Wilson, NRTL and Ideal model were employed to correlate the phase equilibrium data of the tetramethyl biphenyl isomers. The results show the ideal model can describe two binary phase behaviour of 2,2′,3,3′-Tetramethyl biphenyl (TMB1) + 3,3′,4,4′-Tetramethyl biphenyl (TMB3) well while it isn't suitable for TMB1 + 2,3′,3,4′-Tetramethyl biphenyl (TMB2) and TMB3 + TMB2 systems. The best correlation of the solid–liquid equilibrium data has been obtained by the NRTL equation. Besides, the mixing thermodynamic properties were calculated by NRTL model to gain more insights into the phase behaviour of the binary melt eutectic systems. Then, we discuss the co-effect of temperature and low melting point components on the binary phase melting mechanism. At last, non-linear enthalpy–entropy compensation analysis indicated different dissolution mechanism with the variation in mixtures composition.

Solid-liquid equilibrium behavior and thermodynamic analysis of p-aminobenzoic acid using experimental measurement and molecular dynamic simulation

The molecular structure properties of p-aminobenzoic acid (PABA) were investigated both in the solid and liquid phases. The Hirshfeld surface analysis method was used to estimate the percentage contribution of various intermolecular contacts in the solid-state structure. In addition, the solubility of PABA was tested in twelve different solvents by the gravimetric method at temperatures ranging from 283.15 K to 323.15 K. The concentration calibration model established by ATR-FTIR was used to calculate the solubility in ethanol. The results agreed well with the experimental results with a deviation of less than 5%. Furthermore, four thermodynamic models were used to check and correlate the solubility results. The relative standard deviation (ARD) values were less than 10%, indicating a good agreement with the experimental results. The thermodynamic properties of mixing (ΔmixG, ΔmixH, and ΔmixS) were calculated using the NRTL equation. Besides, the physicochemical properties of different solvents were investigated to determine the solvent effects. The results indicated that solvent properties such as polarity, viscosity, and cohesive energy density, exhibited synergistic effects on the solubility in different solvent systems. Finally, molecular dynamic simulations, including solvation free energy and radial distribution function analysis, were used to successfully determine the solubility behavior.

Effect of Cation Structure in Quinolinium-Based Ionic Liquids on the Solubility in Aromatic Sulfur Compounds or Heptane: Thermodynamic Study on Phase Diagrams.

Experimental and theoretical studies on thermodynamic properties of quinolinium-based ionic liquids (ILs) based on bis(trifluoromethylsulfonyl)imide anion (namely N-butyl-quinoloinium bis(trifluoromethylsulfonyl)imide, [BQuin][NTf2], N-hexylquinoloinium bis(trifluoromethyl-sulfonyl)imide, [HQuin][NTf2], and N-octylquinoloinium bis(trifluoromethyl-sulfonyl)imide, [OQuin][NTf2]) with aromatic sulfur compounds and heptane, as a model compound of fuel were examined in order to assess the applicability of the studied ionic liquids for desulfurization of fuels. With this aim, the temperature-composition phase diagrams of 13 binary mixtures composed of organic sulfur compounds (thiophene, benzothiophene, or 2-methylthiophene) or heptane and ionic liquid (IL) were investigated at ambient pressure. A dynamic method was used to determine the (solid–liquid) equilibrium phase diagrams in binary systems over a wide composition range and temperature range from T = 255.15 to 365.15 K up to the fusion temperature of ILs. The immiscibility gap with an upper critical solution temperature (UCST) was observed for each binary system under study. The influence of the alkane chain length of the substituent on the IL cation and of the sulfur compounds (the aromaticity of the solvent) was described. The experimental (solid + liquid) phase equilibrium dataset were successfully correlated using the well-known NRTL equation.

Solubility measurement and thermodynamic properties of sulfamonomethoxine in pure solvents and sulfamonomethoxine hydrate in acetone + water binary solvent at different temperature

The experimental solubility of sulfamonomethoxine in six different pure solvents (methanol, ethanol, 1-propanol, l-butanol, ethyl acetate and acetone) and sulfamonomethoxine hydrate in acetone + water mixture solvents were measured from 294.55 K to 362.15 K by a laser dynamic method under atmospheric pressure. Experimental results indicated that the solubility data of sulfamonomethoxine increased with temperature increasing in pure solvents and the solubility followed this order: acetone > methanol > ethanol > ethyl acetate > 1-propanol > 1-butanol, but solubility in ethyl acetate was not affected significantly by temperature. In acetone + water mixture solvent, the solubility of sulfamonomethoxine hydrate increased with temperature and the acetone concentration. Thermodynamic equations were applied to correlate solubility data of sulfamonomethoxine and sulfamonomethoxine hydrate including the modified Apelblat equation, λh equation, Wilson equation, NRTL equation, Van’t Hoff-Jouyban Acree equation and modified Apel-Jouyban-Acree equation. Furthermore, thermodynamic properties ΔGd, ΔHd and ΔSd of sulfamonomethoxine and sulfamonomethoxine hydrate in dissolution process were obtained and discussed with the modified Van’t Hoff equation and Gibbs equation.

Equilibrium solubility of kojic acid in four binary solvents: Determination, model evaluation, Hansen solubility parameter, thermodynamic properties and quantum chemical calculations

Using the laser monitoring method, the solubility of kojic acid (KA) in the four binary solvents {[(N, N-dimethylformamide) DMF, (N, N-dimethylacetamide) DMAC, (dimethyl sulfoxide) DMSO and (N-methylpyrrolidone) NMP] + ethyl acetate} was measured at various temperatures. The results revealed that the experimental solubility values of KA have positive correlations with mass fraction of co-solvents and temperature in investigated four binary solvents. The solubility order of KA with mass fraction of co-solvents being w1 = 0.2000, 0.4000 and 0.6000 is: DMSO + ethyl acetate > NMP + ethyl acetate > DMAC+ ethyl acetate > DMF + ethyl acetate, respectively. However, in DMAC (w1 = 0.8005) + ethyl acetate, the solubility values of KA overtook that in NMP (w1 = 0.8004) + ethyl acetate at the higher temperature. The miscibility behaviors of KA with tested four binary solvents was revealed by the Hansen Solubility Parameters (HSPs). According to the calculated interaction energy, KA can be more easily dissolved in the solvent which has larger interaction energy with KA. Additionally, the measurement solubility data was mathematically correlated by the NRTL, Three-Suffix Margules, UNIQUAC models and Apelblat equation. The thermodynamic parameters (ΔdisGo, ΔdisHo, ΔdisSo, ζH, ζTS) of KA dissolution processes in investigated four binary solvents were evaluated utilizing the van't Hoff equation. The positive ΔdisHo and ΔdisSo, indicate that the dissolution processes of KA are endothermic and entropy-driven in all chosen binary solvents. And the main contributor of ΔdisGo is positive enthalpy.

A general thermodynamic model for eutectics of phase change molten salts in concentrating solar power applications

• Development of a thermodynamic simulation tool • Design of innovative molten salts-based phase change materials • Practical modeling method to determine eutectic points • Calorimetric and theoretical investigation of ternary phase diagrams • Employment of NRTL and Wilson equations for activity coefficients

Solubility measurement and thermodynamic model correlation of propyl gallate in pure and binary solvents from T = (293.15 to 333.15) K

The solid−liquid equilibrium data of propyl gallate in nine pure solvents and binary solvent mixtures of ethanol + n-propanol were measured over the temperature range from (293.15 to 333.15) K by using a gravimetric method under atmospheric pressure. The experimental result proved that the rising temperature led to increased solubility of the propyl gallate in all selected solvents. For pure solvents, the solubility of propyl gallate increased according to the following order: ethanol < isobutanol < ethyl acetate < methanol < n-butanol < methyl acetate < isopropanol < n-propanol < acetone. For ethanol + n-propanol mixture solvents, the solubility of propyl gallate decreased with the increase of ethanol mass fraction. The experimental solubility in each selected solvent were correlated with a series of equations, including the modified Apelblat equation, Van't Hoff equation, λh equation, NRTL equation and Wilson equation. Computational results showed that all five selected models well fitted the experimental data. Hansen solubility parameters (HSP) were also applied to explain the solubility behavior of propyl gallate. In addition, the Van't Hoff equation was used to estimate the dissolution enthalpy (∆H°sol), dissolution entropy (∆S°sol) and Gibbs energy (ΔG°sol) of propyl gallate in selected solvents.

Solubility and thermodynamic properties of nimodipine in pure and binary solvents at a series of temperatures

The solubilities of nimodipine in pure solvents (i.e., methanol, ethanol, n-propanol, i-propanol, n-butanol, i-butanol, s-butanol, n-pentanol, i-pentanol, acetone, cyclohexanone, acetonitrile, tetrahydrofuran, ethyl formate, methyl acetate, and ethyl acetate) and binary solvent mixtures (methanol + water) was determined using a gravimetric method over a temperature range from 278.15 K to 318.15 K at atmospheric pressure. The solubility data in the single solvents were fitted by the modified Apelblat equation, λh equation, NRTL equation, and Wilson equation, while the solubility data in binary solvent mixtures were correlated by the CNIBS/R-K equation, modified Jouyban-Acree equation, NRTL equation, and Wilson equation. The relative average deviation (RAD), and root mean square deviation (RMSD) were chosen to evaluate the fitting degree of each model. The dissolution enthalpy, entropy, and Gibbs energy changes of nimodipine were evaluated by the Wilson model. The solubility data, thermodynamic parameters and dissolution properties for nimodipine will provide significant guidance for the optimization of the crystallization process in industry.