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Temperature dependent thermophysical investigations of uridine nucleoside in aqueous-lysine solutions at different temperatures 不同温度下赖氨酸水溶液中尿苷核苷的温度依赖性热物理研究
Chemical Thermodynamics and Thermal Analysis Pub Date : 2025-10-01 Epub Date: 2025-11-01 DOI: 10.1016/j.ctta.2025.100239
S.B. Waghmare , H.N. Pawar , R.V. Dudhate , A.D. Arsule , S.D. Deosarkar
{"title":"Temperature dependent thermophysical investigations of uridine nucleoside in aqueous-lysine solutions at different temperatures","authors":"S.B. Waghmare ,&nbsp;H.N. Pawar ,&nbsp;R.V. Dudhate ,&nbsp;A.D. Arsule ,&nbsp;S.D. Deosarkar","doi":"10.1016/j.ctta.2025.100239","DOIUrl":"10.1016/j.ctta.2025.100239","url":null,"abstract":"<div><div>Thermophysical investigations have been carried out for uridine in water and water + lysine (0.01, 0.05 and 0.1 mol kg <sup>−1</sup>) solutions at different temperatures <em>T</em>=(303. 15, 308.15 and 313.15) K and 0.101 MPa. The measured density and speed of sound data were used to calculateapparent molar volume,<span><math><msub><mi>V</mi><mrow><mn>2</mn><mo>,</mo><mi>ϕ</mi></mrow></msub></math></span> and compatibility <span><math><msub><mi>κ</mi><mrow><mi>S</mi><mo>,</mo><mn>2</mn><mo>,</mo><mi>ϕ</mi></mrow></msub></math></span>of solute uridine in aqueous solution of lysine. The partial molar volume and compressibility (<span><math><msubsup><mi>V</mi><mrow><mn>2</mn><mo>,</mo><mi>φ</mi></mrow><mi>o</mi></msubsup></math></span>and,<span><math><msubsup><mi>κ</mi><mrow><mi>S</mi><mo>,</mo><mn>2</mn><mo>,</mo><mi>ϕ</mi></mrow><mn>0</mn></msubsup></math></span>) were computed using Masson’s and Gucker’s relation. The partial molar transfer volume and compressibility (<span><math><mrow><msub><mstyle><mi>Δ</mi></mstyle><mi>t</mi></msub><msubsup><mi>V</mi><mrow><mn>2</mn><mo>,</mo><mi>φ</mi></mrow><mi>o</mi></msubsup></mrow></math></span>and<span><math><mrow><msub><mstyle><mi>Δ</mi></mstyle><mi>t</mi></msub><msubsup><mi>κ</mi><mrow><mi>S</mi><mo>,</mo><mn>2</mn><mo>,</mo><mi>φ</mi></mrow><mn>0</mn></msubsup></mrow></math></span>) has been calculated and discussed. The UV–VIS spectra of uridine in water and in aqueous-lysine solutions have been recorded in order to understand the molecular interactions. The results are interpreted in terms of solute-solvent/solute interactions. Hydration behavior of uridine nucleoside in aqueous solutions of lysine has also been evaluated.</div></div>","PeriodicalId":9781,"journal":{"name":"Chemical Thermodynamics and Thermal Analysis","volume":"20 ","pages":"Article 100239"},"PeriodicalIF":0.0,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145473681","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Theoretical and experimental study of molecular interaction between Propylene glycol and Ether alcohols 丙二醇与醚醇分子相互作用的理论与实验研究
Chemical Thermodynamics and Thermal Analysis Pub Date : 2025-10-01 Epub Date: 2025-08-21 DOI: 10.1016/j.ctta.2025.100213
Subhasri Ganji , Ariel Hernández , T.S. Krishna , Ranjan Dey , D. Ramachandran
{"title":"Theoretical and experimental study of molecular interaction between Propylene glycol and Ether alcohols","authors":"Subhasri Ganji ,&nbsp;Ariel Hernández ,&nbsp;T.S. Krishna ,&nbsp;Ranjan Dey ,&nbsp;D. Ramachandran","doi":"10.1016/j.ctta.2025.100213","DOIUrl":"10.1016/j.ctta.2025.100213","url":null,"abstract":"<div><div>This study investigates the thermophysical properties of binary liquid mixtures of propylene glycol (PG) with ether alcohols-propylene glycol monopropyl ether (2-PE) and ethylene glycol monobutyl ether (2-BE)-across the entire composition range at temperatures T= (298.15 - 323.15) K. Viscosity measurements were performed at T= (298.15 - 308.15) K. From the experimental data, excess properties such as molar volume, isentropic compressibility, speed of sound, isobaric thermal expansion coefficient, and deviation in viscosity were calculated. Partial molar properties and their excess values, including those at infinite dilution, were also derived. The excess properties were correlated using the Redlich-Kister polynomial, and the results were analysed using the Prigogine-Flory-Patterson theory to explore intermolecular interactions. Viscosity correlations were carried out using empirical and semi-empirical models, while density was modelled using the perturbed chain statistical associating fluid theory (PC-SAFT), accounting for hydrogen bonding effects. The speed of sound was predicted using Schaaff’s collision factor theory (SCFT) and Nomoto’s relation (NR), with density data from PC-SAFT as input. Viscosity modelling employed free volume theory (FVT) as a fitted approach. The findings provide insights into the thermophysical behaviour of these mixtures and the role of intermolecular interactions.</div></div>","PeriodicalId":9781,"journal":{"name":"Chemical Thermodynamics and Thermal Analysis","volume":"20 ","pages":"Article 100213"},"PeriodicalIF":0.0,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144922534","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Thermodynamic analysis of tartaric and lactobionic acids with aqueous potassium benzoate mixtures through volumetric and acoustic methods 用体积法和声学方法分析酒石酸和乳酸与苯甲酸钾水溶液混合物的热力学
Chemical Thermodynamics and Thermal Analysis Pub Date : 2025-10-01 Epub Date: 2025-08-28 DOI: 10.1016/j.ctta.2025.100216
Ashpinder Kaur Gill , Nabaparna Chakraborty , K.C. Juglan
{"title":"Thermodynamic analysis of tartaric and lactobionic acids with aqueous potassium benzoate mixtures through volumetric and acoustic methods","authors":"Ashpinder Kaur Gill ,&nbsp;Nabaparna Chakraborty ,&nbsp;K.C. Juglan","doi":"10.1016/j.ctta.2025.100216","DOIUrl":"10.1016/j.ctta.2025.100216","url":null,"abstract":"<div><div>The molecular behavior of ternary liquid systems containing potassium benzoate and water-soluble organic acids (tartaric and lactobionic acids) was studied through measurements of density and ultrasonic velocity at varying concentrations (0.000-0.035) mol‧kg<sup>−1</sup> and temperature varying from (288.15-318.15) K. Derived thermodynamic parameters such as apparent and partial molar volumes, apparent and partial molar isentropic compressibilities, expansibilities, transfer characteristics, thermal expansion coefficients, interaction coefficients were analyzed through investigated data from DSA 5000 M to understand interactions. The structural influence of solutes in the solution, whether promoting or disrupting molecular order was interpreted using Hepler’s thermodynamic criterion and the co-sphere overlap hypothesis. Hydration numbers were estimated using Passynski’s relation based on compressibility data. These results contribute to the progress of stable and efficient formulations across various chemical, food, cosmetic, and pharmaceutical formulations.</div></div>","PeriodicalId":9781,"journal":{"name":"Chemical Thermodynamics and Thermal Analysis","volume":"20 ","pages":"Article 100216"},"PeriodicalIF":0.0,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145019612","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Physicochemical investigations of calcium propionate with 1-Ethyl-3-methylimidazolium ethyl sulphate and 1-Butyl-3-methylimidazolium chloride in aqueous systems 丙酸钙与1-乙基-3-甲基咪唑硫酸乙酯和1-丁基-3-甲基咪唑氯在水溶液中的物理化学研究
Chemical Thermodynamics and Thermal Analysis Pub Date : 2025-10-01 Epub Date: 2025-11-01 DOI: 10.1016/j.ctta.2025.100241
Vrinda Sharma, Himani Singh, Umeshwari, Ashwani Kumar
{"title":"Physicochemical investigations of calcium propionate with 1-Ethyl-3-methylimidazolium ethyl sulphate and 1-Butyl-3-methylimidazolium chloride in aqueous systems","authors":"Vrinda Sharma,&nbsp;Himani Singh,&nbsp;Umeshwari,&nbsp;Ashwani Kumar","doi":"10.1016/j.ctta.2025.100241","DOIUrl":"10.1016/j.ctta.2025.100241","url":null,"abstract":"<div><div>Present research work examines the physicochemical interactions of calcium propionate (a widely used food preservative) with two different imidazolium-based ionic liquids (ILs) i.e. 1-Ethyl-3-methylimidazolium ethyl sulphate ([C₂mim][EtSO₄]) and 1-Butyl-3-methylimidazolium chloride ([C₄mim][Cl]) in aqueous systems. Measurements were conducted across three molal concentrations (0.05, 0.10, 0.15 mol kg⁻¹) of the ILs, spanning a temperature range of 293.15 to 313.15 K at <em>p</em> = 0.1 MPa. Viscosity and refractive index measurements were used to probe molecular interactions as a function of temperature and concentration. The resulting data were analyzed to determine key parameters, viscosity coefficients {Falkenhagen coefficient (<em>A)</em>, Jones-Dole coefficient (<em>B</em>)}, viscosity <em>B</em>-coefficients of transfer (<em>Δ<sub>tr</sub>B</em>) and <em>dB/dT</em> values. The obtained data definitively suggest effective solute-cosolute interactions between calcium propionate and the aqueous ionic liquid media. Notably, the positive <em>Δ<sub>tr</sub>B</em> values indicate that calcium propionate interacts more strongly in the IL-water mixtures than in pure water. Furthermore, the positive <em>dB/dT</em> values inferred a structure-breaking (chaotropic) effect of the media on the solvent structure. These comprehensive physicochemical insights are vital for formulating more effective hybrid preservative systems and advancing the role of these materials in green chemistry applications.</div></div>","PeriodicalId":9781,"journal":{"name":"Chemical Thermodynamics and Thermal Analysis","volume":"20 ","pages":"Article 100241"},"PeriodicalIF":0.0,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145525442","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Enhanced thermal response of phase change materials using optimized fin geometries in a dual-enclosure heat storage unit 增强相变材料的热响应使用优化翅片几何形状在一个双封闭的蓄热装置
Chemical Thermodynamics and Thermal Analysis Pub Date : 2025-10-01 Epub Date: 2025-09-01 DOI: 10.1016/j.ctta.2025.100218
Vignesh Elangovan , Ramanipriya Mahalingam , Mohammad Junaid , Goutam Saha
{"title":"Enhanced thermal response of phase change materials using optimized fin geometries in a dual-enclosure heat storage unit","authors":"Vignesh Elangovan ,&nbsp;Ramanipriya Mahalingam ,&nbsp;Mohammad Junaid ,&nbsp;Goutam Saha","doi":"10.1016/j.ctta.2025.100218","DOIUrl":"10.1016/j.ctta.2025.100218","url":null,"abstract":"<div><div>The inherently low thermal conductivity of phase change materials (PCMs) poses a significant limitation to the performance of latent heat thermal energy storage (LHTES) systems. This study presents a comprehensive numerical investigation into the melting behavior of RT-27 PCM within a two-dimensional chamfered dual-enclosure, equipped with internal and external aluminum fins of four distinct geometries: rectangular, triangular, U-shaped, and wavy. The system is subjected to constant heat fluxes of 500, 1000, 1500, and 2000 W/m². The enthalpy–porosity method is employed in ANSYS Fluent 2021 to solve the governing equations, and model validation is performed against experimental data to ensure reliability. Results demonstrate that fin geometry substantially influences melting rate, thermal uniformity, and energy storage efficiency. At a heat flux of 1000 W/m², the U-shaped fin achieved complete melting in 2000 s, with an average temperature of 365 K and stored energy of ∼160 kJ/kg. In contrast, the triangular fin exhibited the slowest response, completing melting in 2700 s with a lower average temperature of 315 K and energy storage of ∼75 kJ/kg. Increasing heat flux to 2000 W/m² reduced melting time to 1400 s in the U-shaped configuration, confirming its superior thermal performance. The wavy and rectangular fins also showed favorable results, balancing thermal response and uniformity. The findings confirm that the integration of U-shaped and rectangular fins enhances heat propagation, reduces phase-change duration, and improves energy storage capacity. These insights provide a strategic framework for designing compact, high-efficiency LHTES systems for applications in energy, electronics, and thermal management technologies.</div></div>","PeriodicalId":9781,"journal":{"name":"Chemical Thermodynamics and Thermal Analysis","volume":"20 ","pages":"Article 100218"},"PeriodicalIF":0.0,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145019611","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synergistic corrosion inhibition of 304 stainless steel in 1 M HCl by methanolic Acacia mearnsii bark extract and KI: Thermodynamic, kinetic, and thermal analysis 甲醇金合欢树皮提取物和KI在1m HCl中对304不锈钢的协同缓蚀:热力学、动力学和热分析
Chemical Thermodynamics and Thermal Analysis Pub Date : 2025-10-01 Epub Date: 2025-10-12 DOI: 10.1016/j.ctta.2025.100233
Chakanaka P. Mungwari , Babatunde Abiodun Obadele , Cecil K. King’ondu
{"title":"Synergistic corrosion inhibition of 304 stainless steel in 1 M HCl by methanolic Acacia mearnsii bark extract and KI: Thermodynamic, kinetic, and thermal analysis","authors":"Chakanaka P. Mungwari ,&nbsp;Babatunde Abiodun Obadele ,&nbsp;Cecil K. King’ondu","doi":"10.1016/j.ctta.2025.100233","DOIUrl":"10.1016/j.ctta.2025.100233","url":null,"abstract":"<div><div>This study evaluates the thermodynamic behavior and adsorption mechanism of methanolic Acacia mearnsii bark extract (MAMBE) as a green corrosion inhibitor for stainless steel (SS304) in synergy with KI in 1 M HCl solution. Using weight loss measurements, thermodynamic calculations, and adsorption studies, the study assesses both the individual and combined effectiveness of MAMBE and potassium iodide (KI). MAMBE alone achieved a maximum inhibition efficiency of 62.2 % at 1.2 g/L, which dramatically increased to 98.2% when supplemented with 0.3 g/L KI, indicating a strong synergistic effect (s &gt; 1). Thermodynamic parameters, including activation energy (Ea), enthalpy change (ΔH°), entropy change (ΔS°), and Gibbs free energy change (ΔG°), were analyzed to understand the nature of adsorption and spontaneity. MAMBE and KI alone showed E<sub>a</sub> values below 80 kJ/mol with positive ΔH°, indicating endothermic adsorption. The MAMBE and KI combination presented a higher E<sub>a</sub> of 105 kJ/mol, suggesting a more robust corrosion barrier. The ΔG° values (-6.653 to −21.765 kJ/mol) confirmed spontaneous, predominantly physical adsorption. Adsorption followed the Langmuir isotherm model, and thermogravimetric analysis revealed MAMBE's thermal stability up to 110°C, highlighting its excellent thermal resistance and potential as an effective eco-friendly corrosion inhibitor.</div></div>","PeriodicalId":9781,"journal":{"name":"Chemical Thermodynamics and Thermal Analysis","volume":"20 ","pages":"Article 100233"},"PeriodicalIF":0.0,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145323883","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Ultrasonic investigation of binary liquid mixture's excess thermodynamic characteristics at various temperatures 二元液体混合物在不同温度下的超热力特性的超声研究
Chemical Thermodynamics and Thermal Analysis Pub Date : 2025-10-01 Epub Date: 2025-09-24 DOI: 10.1016/j.ctta.2025.100223
M.K. Binkar, R.B. Ramteke, J.N. Ramteke
{"title":"Ultrasonic investigation of binary liquid mixture's excess thermodynamic characteristics at various temperatures","authors":"M.K. Binkar,&nbsp;R.B. Ramteke,&nbsp;J.N. Ramteke","doi":"10.1016/j.ctta.2025.100223","DOIUrl":"10.1016/j.ctta.2025.100223","url":null,"abstract":"<div><div>The ultrasonic velocity (<em>U</em>) and density (<em>ρ</em>) of pure components and binary liquid mixtures, including xylene and 1,4-dioxane with tetra butyl ammonium chloride, have been determined as functions of composition at different temperatures (<em>T</em> = 301.15 K, 305.15 K, 309.15 K, and 313.15 K) at a fixed frequency of 5 MHz for different concentration ranges. The values of adiabatic compressibility (<em>β<sub>s</sub></em>), intermolecular free length (<em>L<sub>f</sub></em>), acoustic impedance <em>(Z</em>), free volume (<em>V<sub>f</sub></em>), relaxation time (<em>τ</em>), coefficient of thermal expansion (<em>α<sub>P</sub></em>), excess adiabatic compressibility (<em>β<sup>E</sup><sub>s</sub></em>), excess intermolecular free length (L<sup>E</sup><sub>f</sub>), excess acoustic impedance (<em>Z<sup>E</sup></em>), excess free volume (<em>V<sup>E</sup><sub>f</sub>),</em> excess relaxation time (<em>τ<sup>E</sup></em>) and excess molar volume (<em>V<sup>E</sup><sub>m</sub></em>) were computed using experimental data. The increase or decrease of <em>β<sub>s</sub>, L<sub>f</sub>, Z, V<sub>f</sub>, τ and α<sub>P</sub></em> with composition indicates the presence of interaction between the component molecules in the mixtures. While excess acoustic impedance and excess free volume consistently show negative variation, excess adiabatic compressibility (<em>β<sup>E</sup><sub>s</sub></em>), excess intermolecular free length (<em>L<sup>E</sup><sub>f</sub></em>), and excess relaxation time (<em>τ<sup>E</sup></em>) show mixed deviation. In the xylene + tetrabutylammonium chloride system, the observed trends suggest weak to moderate interactions, predominantly π–cation and dipole–induced dipole forces, which become more pronounced at higher concentrations. In contrast, the 1,4-dioxane + tetrabutylammonium chloride system exhibits comparatively stronger ion–dipole interactions, leading to greater structural rearrangement and compact molecular association across the entire composition range. These results emphasize the value of excess parameters in describing solute–solvent interactions by confirming that the degree and kind of departures from ideality are significantly impacted by the polarity and structural features of the constituents involved.</div></div>","PeriodicalId":9781,"journal":{"name":"Chemical Thermodynamics and Thermal Analysis","volume":"20 ","pages":"Article 100223"},"PeriodicalIF":0.0,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145216619","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Improved thermodynamic modeling of linear triatomic molecules using a hyperbolic Pöschl-Teller oscillator 利用双曲Pöschl-Teller振荡器改进了线性三原子分子的热力学建模
Chemical Thermodynamics and Thermal Analysis Pub Date : 2025-10-01 Epub Date: 2025-09-09 DOI: 10.1016/j.ctta.2025.100220
R.D. Musa , B.D.V. Mathew , M. Salawu , E.S. Eyube
{"title":"Improved thermodynamic modeling of linear triatomic molecules using a hyperbolic Pöschl-Teller oscillator","authors":"R.D. Musa ,&nbsp;B.D.V. Mathew ,&nbsp;M. Salawu ,&nbsp;E.S. Eyube","doi":"10.1016/j.ctta.2025.100220","DOIUrl":"10.1016/j.ctta.2025.100220","url":null,"abstract":"<div><div>Accurate characterization of thermodynamic properties at high temperatures is essential for modeling chemical systems. However, widely used methods such as NASA polynomials, which are based on the rigid-rotor harmonic oscillator (RRHO) approximation, often fail to capture anharmonic vibrational effects. This study develops computational models using the simplified Pöschl-Teller (SPT) potential to describe the symmetric stretching mode in linear triatomic molecules, while harmonic oscillators are used for the remaining vibrational modes. Analytical expressions for entropy, enthalpy, Gibbs free energy, and heat capacity are derived from the partition function. The models, along with NASA polynomial fits, are applied to CO<sub>2</sub>, CS<sub>2</sub>, and N<sub>2</sub>O, using NIST-JANAF data for benchmarking. The SPT models yield mean percentage absolute errors (MPAE) below 2 % for enthalpy and heat capacity, and as low as 0.2 % for entropy and Gibbs free energy. While NASA polynomials perform well for CO<sub>2</sub>, they show significant deviations at elevated temperatures for CS<sub>2</sub> and N<sub>2</sub>O. This study presents the first application of the SPT potential to linear triatomic molecules and demonstrates its effectiveness in improving thermodynamic characterization.</div></div>","PeriodicalId":9781,"journal":{"name":"Chemical Thermodynamics and Thermal Analysis","volume":"20 ","pages":"Article 100220"},"PeriodicalIF":0.0,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145045378","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Characterising the interfacial bonding in organic-inorganic hybrid materials from their thermal stability 从热稳定性表征有机-无机杂化材料的界面键合
Chemical Thermodynamics and Thermal Analysis Pub Date : 2025-10-01 Epub Date: 2025-09-11 DOI: 10.1016/j.ctta.2025.100221
Anders M. Schade , Sascha Louring , Morten M. Smedskjaer , Donghong Yu
{"title":"Characterising the interfacial bonding in organic-inorganic hybrid materials from their thermal stability","authors":"Anders M. Schade ,&nbsp;Sascha Louring ,&nbsp;Morten M. Smedskjaer ,&nbsp;Donghong Yu","doi":"10.1016/j.ctta.2025.100221","DOIUrl":"10.1016/j.ctta.2025.100221","url":null,"abstract":"<div><div>Transparent hybrid materials that combine organic and inorganic components offer the possibility to obtain properties not found in conventional materials, such as simultaneous high toughness and high strength. Covalent bonding between the organic and inorganic phases is crucial to the performance and stability of sol-gel-based hybrid materials, which in turn can be achieved by using coupling agents. However, quantifying chemical coupling in hybrids is challenging due to the similarity between the reactive groups in the coupling agent and those in the organic components. Investigating the thermal stability of hybrid materials offers an alternative to assess chemical coupling, as polymers typically exhibit enhanced thermal stability when covalently bonded to stable inorganic entities such as silica. In this study, we evaluate the thermal stability of sol-gel hybrid materials based on tetraethylorthosilicate (TEOS), polyethylene glycol 200 (PEG200), and (3-Glycidyloxypropyl)-trimethoxysilane (GPTMS). The materials were analysed using thermogravimetric analysis (TGA) and Fourier transform infrared spectroscopy (FTIR) to determine the extent of interfacial covalent bonding between the polymer and silica networks as facilitated by the coupling agent GPTMS. The TGA results indicate a systematic increase in thermal stability with increasing GPTMS content, which is due to the covalent bonding of PEG200 to the silica network according to the FTIR results. We find that a 1:1:1 molar ratio of GPTMS, TEOS, and PEG200 yields the highest thermal stability enhancement for PEG200, where 36.8% of the organics decompose at a higher temperature compared to the native organic species. These findings demonstrate the link between the chemical structure of hybrid materials and their thermal properties as characterised using TGA.</div></div>","PeriodicalId":9781,"journal":{"name":"Chemical Thermodynamics and Thermal Analysis","volume":"20 ","pages":"Article 100221"},"PeriodicalIF":0.0,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145105575","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Isothermal and non-isothermal measurements can yield different activation energies from thermoanalytical data 等温和非等温测量可以从热分析数据中得出不同的活化能
Chemical Thermodynamics and Thermal Analysis Pub Date : 2025-10-01 Epub Date: 2025-10-28 DOI: 10.1016/j.ctta.2025.100238
Peter J. Skrdla
{"title":"Isothermal and non-isothermal measurements can yield different activation energies from thermoanalytical data","authors":"Peter J. Skrdla","doi":"10.1016/j.ctta.2025.100238","DOIUrl":"10.1016/j.ctta.2025.100238","url":null,"abstract":"<div><div>Thermal measurements employing differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) are frequently utilized in the study of chemical reactions and phase transformations involving the solid state. Given that these techniques typically involve heating (and occasionally cooling), it is essential to comprehend how the kinetics are influenced in comparison to isothermal measurements obtained using the same instrumentation. This matter has recently re-emerged due to an article published in the thermoanalytical literature that provided substantial evidence of unexpected linear correlations between the activation energy, <em>E</em>, and the reaction temperature, <em>T</em>, across diverse classes of conversions investigated with non-isothermal kinetic methods. This work provides a rationalization for the physical origin of that finding and proposes why, under isothermal conditions, the corresponding <em>E</em> values should remain temperature-invariant. In contrast to the Kissinger method, isoconversional methods are anticipated to remain unaffected when processing non-isothermal kinetic data.</div></div>","PeriodicalId":9781,"journal":{"name":"Chemical Thermodynamics and Thermal Analysis","volume":"20 ","pages":"Article 100238"},"PeriodicalIF":0.0,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145473677","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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