Journal of Chemical Thermodynamics最新文献

{"title":"Determination and molecular simulation of ternary solid–liquid phase equilibrium of succinic acid + maleic acid + water from 283.15 K to 333.15 K","authors":"Yihan Wang ,&nbsp;Yifan Wu ,&nbsp;Lehuan Wu ,&nbsp;Jun Wang ,&nbsp;Chunxiang Huang ,&nbsp;Yixin Leng","doi":"10.1016/j.jct.2023.107228","DOIUrl":"10.1016/j.jct.2023.107228","url":null,"abstract":"<div><p>This study used the isothermal saturation gravimetric method to examine the solid–liquid phase equilibrium relationships composed of succinic acid + maleic acid + water spanning from 283.15 K to 333.15 K. The experimental data were utilized for the purpose of plotting the equilibrium phase diagrams of ternary systems in the studied temperature range. There were three crystalline regions in each isothermal ternary phase diagram, two saturation boundary curves, and a co-saturation point. To broaden the use of data from binary and ternary phase equilibrium measurements, Wilson and NRTL models were utilized for correlation and expectation, while relative average deviation (<em>RAD</em>) and root mean square deviation (<em>RMSD</em>) were utilized to evaluate the computational exactness. The results show that the theoretically calculated values were found to be in near agreement with the experimental values, and both models were able to obtain more precise theoretical data under different experimental conditions. In addition, molecular simulation was employed to elucidate the interaction between succinic acid, maleic acid, and water. This study provides accurate and reliable data for the separation of succinic acid and maleic acid mixture in water. These findings can be utilized to make sense of the dissolvability conduct of succinic acid and maleic acid in aqueous solution.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2023-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138580228","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Solid-liquid phase equilibrium and thermodynamic model of ternary system (NH4+ //SO42−, H2PO4−–H2O) from 313.15 to 343.15 K","authors":"Jing Yang,&nbsp;Zhenbei Li,&nbsp;Yuxin Fan,&nbsp;Wenli Zhao,&nbsp;Congcong Sun,&nbsp;Yuanxi Zhang,&nbsp;Yanfei Wang,&nbsp;Yuanyuan Jia","doi":"10.1016/j.jct.2023.107223","DOIUrl":"https://doi.org/10.1016/j.jct.2023.107223","url":null,"abstract":"<div><p>A tremendous amount of wastewater containing ammonium salts, mainly NH₄H₂PO₄ and (NH₄)₂SO₄, has been produced in the production of cathode material of lithium iron phosphate (LFP). However, as an important basis for salt separation, the solid–liquid phase equilibrium (SLPE) of these two salts has been investigated by few studies. In this study, SLPE of the ternary system (NH₄⁺ //SO₄²⁻, H₂PO₄⁻–H₂O) from 313.15 K to 343.15 K at 101.2 kPa were investigated by isothermal dissolution method, and the corresponding physicochemical properties (density, viscosity, and pH) of saturated solution were measured. The phase diagram is composed of one invariant point, two univariant curves, and two single-salt crystallization fields for NH₄H₂PO₄ and (NH₄)₂SO₄. Comparing the phase diagrams from 263.15 K to 343.15 K, it is obvious that two single-salt crystallization fields shrink with increasing temperature. And the area reduction of NH₄H₂PO₄ in two salts is more significant. When the temperature drops below 268.15 K, the ice crystallization field would appear. Neither single-salt solid solution, hydrous salt nor double salt was found in the whole temperature range. Furthermore, Pitzer model was successfully applied to describe the SLPE of the ternary system at temperatures from 273.15 K to 343.15 K. The lacking Pitzer-model parameters of mixed electrolytes (<em>θ</em>_SO4-H2PO4 and <em>ψ</em>_{NH4-SO4-H2PO4}) were calculated, and the temperature coefficients of model parameters and dissolution equilibrium constant were obtained. The importance of this study is that it supplies basic data and theoretical references for the separation and resource utilization of two ammonium salts from wastewater in the LFP batteries industry.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2023-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138489596","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Acoustic and volumetric study of binary mixtures containing Ethyl propionate with amides at various temperatures","authors":"J. Panduranga Rao ,&nbsp;K. Narendra ,&nbsp;V. Visalakshamma ,&nbsp;T.S. Krishna ,&nbsp;G. Srinivasa Rao","doi":"10.1016/j.jct.2023.107222","DOIUrl":"10.1016/j.jct.2023.107222","url":null,"abstract":"<div><p><span><span>The development of biofuels to replace fossil fuels has recently increased at an exponential rate. Many chemical molecules with a wide range of functional groups make up biofuels. There is a strong correlation between the interactions between these molecules and the performance of biofuels. In this paper, the authors presented the new findings related to interactions existing in ethyl propionate<span><span> and Formamide(F), N-Methylformamide (NMF), and N, N-Dimethylformamide (DMF) in a pure state as well as in their mixtures. Densities and </span>speeds of sound at various temperatures (298.15–323.15 K) and at </span></span>ambient pressure<span> 0.1 MPa have been measured for these mixtures. From experimental data, the excess properties such as excess molar volume, </span></span><span><math><msubsup><mi>V</mi><mi>m</mi><mi>E</mi></msubsup></math></span><span>, excess isentropic compressibility, </span><span><math><msubsup><mi>κ</mi><mi>s</mi><mi>E</mi></msubsup></math></span>, excess molar isentropic compressibility, <span><math><msubsup><mi>K</mi><mrow><mi>s</mi><mo>,</mo><mi>m</mi></mrow><mi>E</mi></msubsup></math></span>, excess speed of sound, <span><math><msup><mi>u</mi><mi>E</mi></msup></math></span>, and excess isobaric thermal expansivity, <span><math><msubsup><mi>α</mi><mi>p</mi><mi>E</mi></msubsup></math></span>, of the investigated mixtures were calculated. All the excess parameter values were fitted using the Redlich-Kister polynomial smoothing equation. The results were analysed in terms of molecular interactions. The excess partial molar volume, <span><math><msubsup><mover><mrow><mi>V</mi></mrow><mrow><mo>¯</mo></mrow></mover><mrow><mi>m</mi><mo>,</mo><mn>1</mn></mrow><mi>E</mi></msubsup></math></span>, <span><math><msubsup><mover><mrow><mi>V</mi></mrow><mrow><mo>¯</mo></mrow></mover><mrow><mi>m</mi><mo>,</mo><mn>2</mn></mrow><mi>E</mi></msubsup></math></span> , excess partial molar isentropic compressibility, <span><math><msubsup><mover><mrow><mi>K</mi></mrow><mrow><mo>¯</mo></mrow></mover><mrow><mi>s</mi><mo>,</mo><mi>m</mi><mo>,</mo><mn>1</mn></mrow><mi>E</mi></msubsup></math></span><span><math><msubsup><mover><mrow><mi>K</mi></mrow><mrow><mo>¯</mo></mrow></mover><mrow><mi>s</mi><mo>,</mo><mi>m</mi><mo>,</mo><mn>2</mn></mrow><mi>E</mi></msubsup></math></span><span> over the whole composition range together with partial molar volume, </span><span><math><msubsup><mover><mrow><mi>V</mi></mrow><mrow><mo>¯</mo></mrow></mover><mrow><mi>m</mi><mo>,</mo><mn>1</mn></mrow><mn>0</mn></msubsup></math></span>, <span><math><msubsup><mover><mrow><mi>V</mi></mrow><mrow><mo>¯</mo></mrow></mover><mrow><mi>m</mi><mo>,</mo><mn>2</mn></mrow><mn>0</mn></msubsup></math></span>, partial molar isentropic compressibility <span><math><msubsup><mover><mrow><mi>K</mi></mrow><mrow><mo>¯</mo></mrow></mover><mrow><mi>s</mi><mo>,</mo><mi>m</mi><mo>,</mo><mn>1</mn></mrow><mn>0</mn></msubsup></math></span>, <span><math><msubsup><mover><mrow><","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2023-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138535357","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Interaction of anti-inflammatory drug naproxen with essential amino acids: Quantitative thermodynamic insights","authors":"Pooja Meena ,&nbsp;Anu Jain","doi":"10.1016/j.jct.2023.107211","DOIUrl":"https://doi.org/10.1016/j.jct.2023.107211","url":null,"abstract":"<div><p>A combination of ultrasensitive isothermal titration calorimetry and uv–visible spectroscopy has been employed to unravel interaction of anti-inflammatory drug naproxen with five essential amino acids L-arginine, L-lysine, L-phenylalanine, L-valine and L-tryptophan. The nature of interaction in each case has been examined based on standard molar enthalpy of interaction <span><math><mrow><mfenced><mrow><msubsup><mrow><mi>Δ</mi><mi>H</mi></mrow><mrow><mi>m</mi></mrow><mi>o</mi></msubsup></mrow></mfenced></mrow></math></span> and changes in the spectral properties. The values and sign of <span><math><mrow><msubsup><mrow><mi>Δ</mi><mi>H</mi></mrow><mrow><mi>m</mi></mrow><mi>o</mi></msubsup></mrow></math></span> have been related with the nature of interacting groups and solvent reorganization as a result of drug-amino acid association. Exothermic standard molar enthalpy of interaction of naproxen with L-arginine indicated significant of polar interactions, and endothermic heat effects with all other amino acids suggested dominance of hydrophobic effect and desolvation penalty in the association process. The overall value of enthalpy of interaction for all the studied amino acids is less than 2 <span><math><mrow><mi>kJ</mi><mspace></mspace><msup><mrow><mi>mol</mi></mrow><mrow><mo>-</mo><mn>1</mn></mrow></msup></mrow></math></span> suggesting that these interactions are not very strong. The uv–visible results provided support to ITC results in obtaining mechanistic insights into the nature of interactions. The results derive significance from the fact that sometimes anti-inflammatory drug naproxen may be administrated along with supplements of essential amino acids. In case there is a strong drug-amino acids interaction, efficacy of each one may be affected.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2023-11-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138437085","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Liquid viscosity, interfacial tension, thermal and mutual diffusivities of mixtures of n-eicosane with dissolved carbon dioxide","authors":"Junwei Cui ,&nbsp;Tao Yang ,&nbsp;Shengshan Bi ,&nbsp;Jiangtao Wu","doi":"10.1016/j.jct.2023.107212","DOIUrl":"https://doi.org/10.1016/j.jct.2023.107212","url":null,"abstract":"<div><p>The thermophysical properties of systems with alkanes with dissolved carbon dioxide (CO₂) are of importance in the aspects of carbon capture and storage (CCS), enhanced oil recovery (EOR), Fischer-Tropsch (FT) synthesis, et al. This work continues for our previous studies about the thermophysical properties of several binary systems with alkane and CO₂. In this work, the liquid viscosity, interfacial tension, thermal and mutual diffusivity of normal eicosane <em>n</em>-C₂₀H₄₂ with dissolved CO₂ were measured with dynamic light scattering (DLS) method from (323 to 473) K and (0.1 to 5.6) MPa. The system's liquid viscosity and interfacial tension were analyzed as a function of pressure under each isotherm line. The polynomial-based empirical correlations were developed for liquid viscosity and interfacial tension with pressure and temperature. The maximum deviations were 4.4 % for liquid viscosity and 1.1 mN·m⁻¹ for interfacial tension. The experimental interfacial tension from the literature was compared with this work, and the deviations were mostly with 0.50 mN·m⁻¹. The mutual diffusivity of the system was nearly a constant along the investigated composition range in this work. The mass diffusion coefficients from the literature agree with this work. The results from this work were expected to provide reliable and accurate fundamental thermophysical properties of liquid with dissolved gas systems in engineering and chemical processes.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2023-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138448750","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Thermodynamics of reactions of stepwise complex formation of silver(I) ion with pyridine in binary solvents","authors":"Irina A. Kuz'mina ,&nbsp;Mariia A. Kovanova","doi":"10.1016/j.jct.2023.107210","DOIUrl":"https://doi.org/10.1016/j.jct.2023.107210","url":null,"abstract":"<div><p>In this study, the enthalpies of stepwise complexation reactions between silver(I) ions and pyridine in methanol–acetonitrile mixed solvents (MeOH-AN, with molar fractions of AN varying from 0 to 1) were determined by the calorimetric method at 298.15 K. The analysis of the solvation contributions of the reactants to the alterations in the thermodynamic characteristics associated with the formation of [AgPy]⁺ and [AgPy₂]⁺ complexes as the solvent composition transitions, i.e. from methanol to its mixtures with acetonitrile (MeOH → <em>χ</em>_AN), from methanol to its mixtures with <em>N,N</em>-dimethylformamide (MeOH → <em>χ</em>_DMF) and from acetonitrile to its mixtures with dimethyl sulfoxide (AN → <em>χ</em>_DMSO) was carried out. The research methodology was based on the provisions of the solvation-thermodynamic approach, based on the relationship between changes in the thermodynamic characteristics of the reactions of complex formation and solvation of reagents with a change in the composition of the solvent.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2023-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138467412","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Analysis of agomelatine (Form Ⅱ) dissolution behavior in different mono-solvents: Solubility, solvation thermodynamics as well as inter-molecular interactions","authors":"Jinju Ma ,&nbsp;Hao Wu ,&nbsp;Dongxu Yi ,&nbsp;Wei Liu ,&nbsp;Xinding Yao ,&nbsp;Tao Li ,&nbsp;Baozeng Ren","doi":"10.1016/j.jct.2023.107209","DOIUrl":"https://doi.org/10.1016/j.jct.2023.107209","url":null,"abstract":"<div><p>Form II of Agomelatine (AG) is a stable crystal which can be applied to industrial production, and it is mainly used for the treatment of depression. In this paper, the solubility of AG in ten single solvents was determined by the laser dynamic method, and the solubility data were fitted and analyzed using the activity coefficient model and empirical equations (NRTL,λh, Apelblat and Van't Hoff). Besides, the thermodynamic properties of the mixing and dissolution processes were estimated. The compatibility between Agomelatine and selected solvents was analyzed based on HSP, the Hansen Solubility Parameter. On the basis of the Hirshfeld partition (IGMH), the study applied the independent gradient model and the molecular surface to qualitatively elaborate the electrostatic characteristics of the acidity and basicity of Agomelatine. The results show that compared with the other ester solvents, the = O, and &gt; NH groups in the Agomelatine molecule have priority over forming hydrogen bonds with the alcohol solvents. The molecular dynamics simulation of Agomelatine in different solvent systems was conducted by using the Materials studio software, the interaction force between the solute–solvent molecules in the solution was calculated, and the reasons for the solubility difference of Agomelatine in various solvents were analyzed.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2023-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138430556","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Thermodynamic consideration of dissolution and distribution behavior of carvedilol in pharmaceutical significant media","authors":"Angelica V. Sharapova,&nbsp;Marina V. Ol'khovich,&nbsp;Svetlana V. Blokhina","doi":"10.1016/j.jct.2023.107207","DOIUrl":"https://doi.org/10.1016/j.jct.2023.107207","url":null,"abstract":"<div><p>The key physico-chemical properties for pharmaceutical design as solubility and distribution coefficients of cardiovascular carvedilol (CVD) in modeling solvents and biphasic systems were determined using the classic shake flask method in the temperature range (293.15–313.15) K. The drug solubility in 1-octanol and hexane was measured at first time. The equilibrium mole fraction solubility of CVD at reference temperature was changed in following order: 1-octanol (2.79∙10^-3) &gt; hexane (4.56∙10^-6) &gt; buffer pH 2.0 (3.39∙10^-6) &gt; buffer pH 7.4 (1.53∙10^-7). Solubility pH-profile was characterized a weak solubility in acidic media and very poor solubility in neutral. The experimental lipophilic values logD_O/B (1.83 and 2.36 at buffer solution pH 2.0 and 7.4, respectively) were shown the excellent penetration power into both the circulatory system and the entire intestinal tract. The temperature dependences of the CVD distribution coefficients in 1-octanol/buffer and hexane/buffer two-phase systems at pH two values (2.0 and 7.4) were considered from the thermodynamic view point. Thermodynamic functions of solubility and transfer processes were calculated and analyzed. Thermophysical parameters of the compound were used for estimation of the ideal solubility and activity coefficients. Moreover partial excess thermodynamic functions of CVD dissolution in saturated solutions, demonstrating the positive deviation real solvents from ideality, are also evaluated in detail. The data obtained will be in demand both for the creation of conceptually new dosage forms of carvedilol with improved bioavailability, and for constructing structure–property correlations in a number of structure-like compounds.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2023-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138423085","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Investigation on the solvent and temperature effect of climbazole solubility","authors":"Wenxi Song ,&nbsp;Na Wang ,&nbsp;Mingzhe Tan ,&nbsp;Meng Wang ,&nbsp;Xin Huang ,&nbsp;Ting Wang ,&nbsp;Hongxun Hao","doi":"10.1016/j.jct.2023.107206","DOIUrl":"https://doi.org/10.1016/j.jct.2023.107206","url":null,"abstract":"<div><p>The thermodynamic behavior of objective compounds plays an important role in crystallization and purification. In this work, the solubility of climbazole in nine pure solvents at (288.15–318.15 K) and in a water–ethanol mixed solution at (278.15–313.15 K) was determined by a gravimetric method. It was found that the solubility is positively related to temperature and ethanol content. Three well-known thermodynamic models (modified Apelblat equation, NRTL equation, λh equation) were used to correlate the experimental data, and the modified Apelblat equation showed better correlation results. Meanwhile, the thermodynamic properties of climbazole in selected solvents were investigated, and it was found that the dissolution process of climbazole is spontaneous, endothermic and entropy driven. Furthermore, the solvent effect was evaluated and discussed by Kamlet and Taft linear solvation energy relationship model (KAT-LSER) and Hansen solubility parameters (HSPs). The solvent–solvent interactions and the nonspecific dipolarity/polarizability interactions have a great influence on solubility. Additionally, the molecular surface characteristics and intermolecular interactions were studied by molecular simulation to reveal the molecular mechanism behind the solubility behavior of climbazole.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2023-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138430545","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A novel measurement method for measuring the concentration-dependent mutual diffusion coefficients based on finite volume method","authors":"Yuqi Su,&nbsp;Weijie Jia,&nbsp;Junshuai Chen,&nbsp;Songtao Cao,&nbsp;Maogang He,&nbsp;Ying Zhang","doi":"10.1016/j.jct.2023.107208","DOIUrl":"https://doi.org/10.1016/j.jct.2023.107208","url":null,"abstract":"<div><p>This paper presents a novel measurement method based on the finite volume method (FVM), which can be used for measuring the concentration-dependent mutual diffusion coefficient <em>D</em>(<em>C</em>) in binary solution. The measurement principle of <em>D</em> was derived by integrating the Fick’s second law in the control volume and establishing discretization equation. By simulating the diffusion process of binary solution, discussed the feasibility of this method. This new method can be used by an experimental system that can monitor changes in concentration distribution, such as optical interferometry. A set of 20 binary mixtures was tested to verify the method. The experimental results showed good agreement with and the literature, which verifies the accuracy of the method. The relative expanded combined uncertainty for the proposed method is estimated to 2.2 %. In addition, <em>D</em>(<em>C</em>) of LiTSFI aqueous solution was measured by the new method based on the digital holographic interferometry system at 288.15 K, 298.15 K and 308.15 K over the mass fraction range of 0 ∼ 0.447 (0 ∼ 2 mol/L). The temperature and concentration influences of <em>D</em> were discussed and a semi-empirical correlation was built.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2023-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"134656411","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}