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Molecular insights into aqueous bronopol solutions containing sodium and magnesium ascorbates: A multi-technique acoustic, thermodynamic, and spectroscopic study 含有抗坏血酸钠和镁的溴酚水溶液的分子洞察:一项多技术声学、热力学和光谱研究
Chemical Thermodynamics and Thermal Analysis Pub Date : 2025-10-01 DOI: 10.1016/j.ctta.2025.100224
Sunita Devi , Nabaparna Chakraborty , K.C. Juglan
{"title":"Molecular insights into aqueous bronopol solutions containing sodium and magnesium ascorbates: A multi-technique acoustic, thermodynamic, and spectroscopic study","authors":"Sunita Devi ,&nbsp;Nabaparna Chakraborty ,&nbsp;K.C. Juglan","doi":"10.1016/j.ctta.2025.100224","DOIUrl":"10.1016/j.ctta.2025.100224","url":null,"abstract":"<div><div>This study investigates the molecular interactions in ternary aqueous systems containing Bronopol along with sodium and magnesium ascorbates. Experiments were carried out at four temperatures (288.15, 298.15, 308.15, and 318.15 K) across a range of solute concentrations (0.00, 0.01, 0.03 and 0.05 mol.kg-1). The Anton Paar DSA 5000 M was used to accurately measure density and speed of sound, enabling the calculation of key thermodynamic parameters, including apparent molar volume <span><math><mrow><mo>(</mo><msub><mi>V</mi><mi>ϕ</mi></msub><mo>)</mo></mrow></math></span>, partial molar volume <span><math><mrow><mo>(</mo><msubsup><mi>V</mi><mi>ϕ</mi><mn>0</mn></msubsup><mo>)</mo></mrow></math></span>, and partial molar volume of transfer <span><math><mrow><mo>(</mo><mrow><mstyle><mi>Δ</mi></mstyle><msubsup><mi>V</mi><mi>ϕ</mi><mn>0</mn></msubsup></mrow><mo>)</mo></mrow></math></span>. Apparent molar isentropic compressibility (<span><math><msub><mi>K</mi><mrow><mi>ϕ</mi><mo>,</mo><mi>s</mi></mrow></msub></math></span>), its standard partial molar value (<span><math><msubsup><mi>K</mi><mrow><mi>ϕ</mi><mo>,</mo><mi>s</mi></mrow><mn>0</mn></msubsup></math></span>), and the transfer function (<span><math><mrow><mstyle><mi>Δ</mi></mstyle><msubsup><mi>K</mi><mrow><mi>ϕ</mi><mo>,</mo><mi>s</mi></mrow><mn>0</mn></msubsup></mrow></math></span>) were evaluated to assess solute compressibility within these ternary systems. The structural behavior of the mixtures whether they act as structure-makers or structure-breakers, was examined using Hepler’s thermodynamic approach. Furthermore, bonding interactions between Bronopol and the ascorbate compounds were examined using FTIR analysis conducted over the spectral range of 400–4000 cm⁻¹. The outcomes of this study offer valuable insights into intermolecular interactions that support the development of sustainable, high-performance preservative systems with potential applications in chemical engineering, pharmaceuticals, and cosmetics. The use of bio-based additives, such as sodium and magnesium ascorbate, highlights the potential for more sustainable approaches in formulation science, aligning conceptually with UN 2030 Sustainable Development Goals.</div></div>","PeriodicalId":9781,"journal":{"name":"Chemical Thermodynamics and Thermal Analysis","volume":"20 ","pages":"Article 100224"},"PeriodicalIF":0.0,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145262336","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
Determination of vapor-liquid-liquid equilibrium for methyl propionate-water-methyl isobutyrate ternary partial miscibility system under 101.325kPa 101.325kPa下丙酸甲酯-水-异丁酸甲酯三元部分混相体系气液平衡的测定
Chemical Thermodynamics and Thermal Analysis Pub Date : 2025-10-01 DOI: 10.1016/j.ctta.2025.100226
S. Yunhai, L. Yuan, X. Jumei, Z. Shi, W. Hongqun
{"title":"Determination of vapor-liquid-liquid equilibrium for methyl propionate-water-methyl isobutyrate ternary partial miscibility system under 101.325kPa","authors":"S. Yunhai,&nbsp;L. Yuan,&nbsp;X. Jumei,&nbsp;Z. Shi,&nbsp;W. Hongqun","doi":"10.1016/j.ctta.2025.100226","DOIUrl":"10.1016/j.ctta.2025.100226","url":null,"abstract":"<div><div>An improved Ellis equilibrium distillatory was used to determine vapor-liquid-liquid equilibrium (VLLE) data for binary systems of methyl propionate(1)-water(2), water(2)–methyl isobutyrate (3), as well as methyl propionate(1)- water(2)-methyl isobutyrate(3) ternary partially miscible system. The NRTL and UNIQUAC activity coefficient model integrated in Aspen Plus software were used to correlate the VLLE experimental data. The results showed that the mean absolute deviations of temperature and vapor phase molar fraction correlated by NRTL and UNIQUAC models for methyl propionate (1)-water (2) binary system, were 0.663K , 0.53K , 0.012 and 0.0107, respectively. And for water (2) - methyl isobutyrate (3) binary system, those of them were 0.185 K, 0.181 K, 0.004 and 0.006, respectively. An azeotropic point was found for the two binary partially miscible systems, which were the molar fraction of water 0.3120, 344.65K and 0.4170, 351.55K , respectively. For methyl propionate (1) - water (2) - methyl isobutyrate (3) ternary partially miscible system, an azeotrope was also found, which the temperature, molar fraction of azeotrope for methyl propionate, water and methyl isobutyrate are 338.04 K, 0.5109, 0.3538, 0.1353 respectively. These results may be very useful for optimizing the synthesis, separation, and purification of methyl methacrylate on industrial scale.</div></div>","PeriodicalId":9781,"journal":{"name":"Chemical Thermodynamics and Thermal Analysis","volume":"20 ","pages":"Article 100226"},"PeriodicalIF":0.0,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145262337","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
A review on performance of refrigeration system using nano-refrigerant & nano-lubricant 纳米制冷剂和纳米润滑剂制冷系统性能研究进展
Chemical Thermodynamics and Thermal Analysis Pub Date : 2025-10-01 DOI: 10.1016/j.ctta.2025.100222
Niraj N. Raja , Avinash D. Khanderao
{"title":"A review on performance of refrigeration system using nano-refrigerant & nano-lubricant","authors":"Niraj N. Raja ,&nbsp;Avinash D. Khanderao","doi":"10.1016/j.ctta.2025.100222","DOIUrl":"10.1016/j.ctta.2025.100222","url":null,"abstract":"<div><div>The increasing demand for energy-efficient and eco-friendly refrigeration technologies has spurred research into nanofluids. Nano-refrigerant &amp; Nano-lubricant, as advanced nanofluids are revolutionizing the design and analysis of thermal engineering systems by enhancing thermo-physical and heat transfer properties of working fluids thereby improving the overall system performance. These nanofluids, formed by suspending nanoparticles in base fluids, can be directly used in vapor compression refrigeration systems without any modifications significantly boosting heat transfer in refrigeration and air-conditioning devices. The heat transfer performance of any thermal engineering system depends on critical properties such as the thermal conductivity and viscosity of the working fluid, which are ultimately influenced by the concentration and stability of nanoparticles in the base fluid.</div><div>This paper provides a comprehensive review of recent research on the performance of refrigeration and air conditioning systems through the application of various nano-refrigerants and nano-lubricants. It focuses on cooling capacity, coefficient of performance, and overall energy efficiency. Challenges such as nanoparticle stability, optimal concentration and system compatibility issues are also discussed. This study aims to promote energy-efficient and environmentally friendly nano-refrigerants &amp; nano-lubricants which hold significant promise for the next generation of sustainable refrigeration &amp; air-conditioning systems.</div></div>","PeriodicalId":9781,"journal":{"name":"Chemical Thermodynamics and Thermal Analysis","volume":"20 ","pages":"Article 100222"},"PeriodicalIF":0.0,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145216571","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
VLE measurement of ternary system containing components of dimethyl oxalate, methanol and 1,2-butanediol under atmospheric pressure 常压下草酸二甲酯、甲醇和1,2-丁二醇三元体系的VLE测定
Chemical Thermodynamics and Thermal Analysis Pub Date : 2025-10-01 DOI: 10.1016/j.ctta.2025.100227
Rongchun Shen , Yun Chen , Shi Zheng , Yunhai Shi , Jinghong Zhou , Wei Li
{"title":"VLE measurement of ternary system containing components of dimethyl oxalate, methanol and 1,2-butanediol under atmospheric pressure","authors":"Rongchun Shen ,&nbsp;Yun Chen ,&nbsp;Shi Zheng ,&nbsp;Yunhai Shi ,&nbsp;Jinghong Zhou ,&nbsp;Wei Li","doi":"10.1016/j.ctta.2025.100227","DOIUrl":"10.1016/j.ctta.2025.100227","url":null,"abstract":"<div><div>Isobaric vapor-liquid Equilibrium (VLE) data for dimethyl oxalate + methanol and methanol + 1,2-butanediol binary systems, as well as the VLE for dimethyl oxalate + methanol + 1,2-butanediol ternary system have been determined using an Ellis equilibrium distiller at 101.325 kPa. The vapor pressure of 1,2-butanol was measured with a Rose equilibrium apparatus under pressure of 0.34 kPa to atmospheric pressure. The thermodynamic consistency tests of the two binary experimental VLE data for dimethyl oxalate + methanol and methanol + 1,2-butanediol were performed according to a statistical method. The two binary experimental data were correlated by the Wilson, non-random two-liquid (NRTL) and universal quasi-chemical (UNIQUAC) activity coefficient models integrated in the authorized Aspen Plus software with the maximum average absolute deviations of 1.42 K for temperature and 0.0153 for vapor phase composition, the binary component interaction parameters were also obtained by this regression. On the basis of these calculated results, the corresponding binary interaction parameters of the dimethyl oxalate and 1,2-butanediol was then regressed from experimental ternary (dimethyl oxalate + methanol +1,2-butanediol) VLE data. These experimental and calculated data are valuable for the separation process design and optimization of dimethyl oxalate hydrogenation to ethylene glycol.</div></div>","PeriodicalId":9781,"journal":{"name":"Chemical Thermodynamics and Thermal Analysis","volume":"20 ","pages":"Article 100227"},"PeriodicalIF":0.0,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145262338","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 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
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 : 2025-09-11 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":"2025-09-11","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
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 : 2025-09-09 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":"2025-09-09","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
Rice bran oil extraction with CO2-expanded acetone: kinetics modeling, and thermodynamics aspects 用co2膨胀丙酮提取米糠油:动力学模型和热力学方面
Chemical Thermodynamics and Thermal Analysis Pub Date : 2025-09-04 DOI: 10.1016/j.ctta.2025.100219
Mathayo Gervas Mathias , Idzumi Okajima
{"title":"Rice bran oil extraction with CO2-expanded acetone: kinetics modeling, and thermodynamics aspects","authors":"Mathayo Gervas Mathias ,&nbsp;Idzumi Okajima","doi":"10.1016/j.ctta.2025.100219","DOIUrl":"10.1016/j.ctta.2025.100219","url":null,"abstract":"<div><div>Mathematical modeling for process control, simulation, optimization, and equipment design is necessary to gain technological insights. This study compares kinetic models and emphasizes thermodynamic aspects of rice bran oil extraction with CO<sub>2</sub>-expanded acetone. Analysis of extraction kinetic data shows that the modified Fick’s model is superior to Peleg’s model. A thermodynamic study demonstrates that adding CO<sub>2</sub> to acetone lowers the activation energy by 68 %. Moreover, the enthalpy, entropy, and Gibbs free energy changes for CO<sub>2</sub>-expanded acetone extraction at 5.0 MPa, 25 °C, and a CO<sub>2</sub> mole fraction of 0.76 are determined to be 141.10 KJ/mol, 9.80 J/mol, and –2.90 KJ/mol, respectively, indicating that the rice bran oil extraction process is endothermic, irreversible, and spontaneous. These findings enhance the design and scale-up of efficient bio-oil extraction processes using CO<sub>2</sub>-expanded acetone.</div></div>","PeriodicalId":9781,"journal":{"name":"Chemical Thermodynamics and Thermal Analysis","volume":"20 ","pages":"Article 100219"},"PeriodicalIF":0.0,"publicationDate":"2025-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145019613","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 : 2025-09-01 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":"2025-09-01","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
Effects of nanoparticle, microparticles and silica sand on CO2 and CH4 gas hydrates phase equilibria 纳米颗粒、微颗粒和硅砂对CO2和CH4气体水合物相平衡的影响
Chemical Thermodynamics and Thermal Analysis Pub Date : 2025-08-28 DOI: 10.1016/j.ctta.2025.100217
Phakamile Ndlovu , Saeideh Babaee , Paramespri Naidoo
{"title":"Effects of nanoparticle, microparticles and silica sand on CO2 and CH4 gas hydrates phase equilibria","authors":"Phakamile Ndlovu ,&nbsp;Saeideh Babaee ,&nbsp;Paramespri Naidoo","doi":"10.1016/j.ctta.2025.100217","DOIUrl":"10.1016/j.ctta.2025.100217","url":null,"abstract":"<div><div>Gas hydrates present significant potential for gas storage applications, particularly when various additives are employed to enhance their efficacy. With carbon dioxide (CO<sub>2</sub>) gas hydrates the focus is on gas capture and storage in geological landforms while methane (CH<sub>4</sub>) gas hydrates have been eye-marked for energy storage. To effectively utilize gas hydrates across various sectors, it is essential to understand the phase equilibrium conditions for each system, including those involving CH<sub>4</sub>/CO<sub>2</sub> and various additives. Nanoparticles enhance the formation rate of gas hydrates and show promising potential for gas storage applications. In this study, phase equilibrium conditions of CO<sub>2</sub> and CH<sub>4</sub> hydrates in the presence of CuO and Al<sub>2</sub>O<sub>3</sub> nanoparticles, graphene nanoplatelets, graphite powder, magnesium nitrate hexahydrate MgN<sub>2</sub>O<sub>6</sub>·6H<sub>2</sub>O, ZnO microparticles, sodium dodecyl sulfate (SDS) and silica sand were measured, experimentally. The measured temperature and pressure conditions for CH<sub>4</sub> hydrate systems were 277.72 to 283.03 K and 4.907 to 7.77 MPa respectively. While for CO<sub>2</sub> hydrate systems, the measured temperature and pressure were 279.11 to 283.73 K and 3.395 to 5.52 MPa, respectively. Results showed that for both CH<sub>4</sub> and CO<sub>2</sub> hydrate systems, the nanoparticles and powders acted as the thermodynamic inhibitor by shifting the hydrate phase equilibrium to the higher pressure and lower temperature conditions, while they acted as the kinetic promotors by improving the rate of hydrate formation and decreasing the hydrate formation time. The silica sand acts as an inhibitor over a certain range as well as a promoter in the other end for the CO<sub>2</sub> and CH<sub>4</sub> systems.</div></div>","PeriodicalId":9781,"journal":{"name":"Chemical Thermodynamics and Thermal Analysis","volume":"20 ","pages":"Article 100217"},"PeriodicalIF":0.0,"publicationDate":"2025-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145045377","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}
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