Pub Date : 2025-09-29DOI: 10.1016/j.tca.2025.180144
A.V. Lazarev , T.A. Semenov
The influence of instrumental conditions (heating rate and sample size) on the accuracy of determining the Arrhenius parameters (activation energy E and pre-exponential factor k0) using the model of non-isothermal decomposition in a first-order reaction was investigated. A criterion was obtained that provides a kinetic control regime in the experiment (equality of sample and program heating temperatures), allowing the processing of experimental data by traditional methods. Based on this criterion, a real experiment on the decomposition of hydrogen trioxide H2O3 is selected. The obtained kinetic parameters for this reaction were then utilized in a model experiment to assess the impact of the chemical and thermodynamic properties of the sample, heat transfer, and experimental instrumental conditions (sample size and programmed heating rate) on the precision of determining the kinetic parameters.
{"title":"Model of experiment in non-isothermal kinetics of thermal decomposition reaction","authors":"A.V. Lazarev , T.A. Semenov","doi":"10.1016/j.tca.2025.180144","DOIUrl":"10.1016/j.tca.2025.180144","url":null,"abstract":"<div><div>The influence of instrumental conditions (heating rate and sample size) on the accuracy of determining the Arrhenius parameters (activation energy E and pre-exponential factor k<sub>0</sub>) using the model of non-isothermal decomposition in a first-order reaction was investigated. A criterion was obtained that provides a kinetic control regime in the experiment (equality of sample and program heating temperatures), allowing the processing of experimental data by traditional methods. Based on this criterion, a real experiment on the decomposition of hydrogen trioxide H<sub>2</sub>O<sub>3</sub> is selected. The obtained kinetic parameters for this reaction were then utilized in a model experiment to assess the impact of the chemical and thermodynamic properties of the sample, heat transfer, and experimental instrumental conditions (sample size and programmed heating rate) on the precision of determining the kinetic parameters.</div></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":"753 ","pages":"Article 180144"},"PeriodicalIF":3.5,"publicationDate":"2025-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145220579","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-09-29DOI: 10.1016/j.tca.2025.180089
Tobias Lange , Daniel Axthammer , Daniel Jansen , Torben Gädt
The chemical reactivity of inorganic binders such as Portland cement is frequently studied using isothermal heat flow calorimetry. Most often, water and binder are mixed outside of the calorimeter, and the paste is inserted into the calorimeter after 5 to 10 min at the earliest. Consequently, the heat of early hydration reactions is usually not included in the experimental data. The only way to record the heat of hydration from the first contact of water with the binder is to use custom-built internal mixing devices. For this purpose, different mixers have been reported. However, their reliability has yet to be studied and compared systematically. This study compares three internal mixer designs regarding the early heat flow, experimental repeatability, and mixing quality at different water-to-cement ratios. Finally, we study the phase composition of the cement before and during hydration using quantitative X-ray diffraction. Combining the experimental Rietveld data with thermodynamic modeling demonstrates that the observed experimental heat after 60 min of hydration corresponds to the formation of ettringite from C3A and sulfates, while the contribution of the other cement phases is small.
{"title":"In-situ isothermal calorimetry of cement pastes — Unraveling mixer effects, viscous heat dissipation, and heat of hydration","authors":"Tobias Lange , Daniel Axthammer , Daniel Jansen , Torben Gädt","doi":"10.1016/j.tca.2025.180089","DOIUrl":"10.1016/j.tca.2025.180089","url":null,"abstract":"<div><div>The chemical reactivity of inorganic binders such as Portland cement is frequently studied using isothermal heat flow calorimetry. Most often, water and binder are mixed outside of the calorimeter, and the paste is inserted into the calorimeter after 5 to 10 min at the earliest. Consequently, the heat of early hydration reactions is usually not included in the experimental data. The only way to record the heat of hydration from the first contact of water with the binder is to use custom-built internal mixing devices. For this purpose, different mixers have been reported. However, their reliability has yet to be studied and compared systematically. This study compares three internal mixer designs regarding the early heat flow, experimental repeatability, and mixing quality at different water-to-cement ratios. Finally, we study the phase composition of the cement before and during hydration using quantitative X-ray diffraction. Combining the experimental Rietveld data with thermodynamic modeling demonstrates that the observed experimental heat after 60 min of hydration corresponds to the formation of ettringite from C<sub>3</sub>A and sulfates, while the contribution of the other cement phases is small.</div></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":"754 ","pages":"Article 180089"},"PeriodicalIF":3.5,"publicationDate":"2025-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145474761","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-09-27DOI: 10.1016/j.tca.2025.180143
Dimitrios Fessas, Francesca Saitta
The importance of knowing the conformational structure of a protein and the related mechanism of denaturation stems from the crucial role that these macromolecules perform in the biological world, and hence the wide spectrum of possible applications in the frame of biological and pharmaceutical research activities. However, in a biological context where a significant number of proteins exists as multimers, stand-alone thermodynamic equations able to simulate and fit Differential Scanning Calorimetry (DSC) profiles involving dissociation phenomena are still missing: different valuable models have been reported in the literature since the 1980s but all were based on the application of experimental protein conversion fractions from the native to the dissociated/denatured state.
In this frame, the present work develops thermodynamic equations that are completely independent of experimental data and are related to three main models: i) ; ii) ; iii) . Beside inspecting the influence of each fitting parameter on the theoretical curve for the single models, two applications to experimental results are also discussed.
Furthermore, aiming at simplifying the application of thermodynamic equations to proteins of biological and/or pharmaceutical interest, the work develops extensively the solutions for all the models considering the most common homomers, i.e., dimers, trimers, and tetramers.
The methodology and strategy proposed here, that link statistical mechanics concepts (canonical partition function) with the classical thermodynamics’ equilibrium constant, are general and pave the way for the development of models that may reflect more complex scenarios than those considered in this work, if the case.
{"title":"Recognition of the thermal dissociation/denaturation mechanisms for multimeric proteins through DSC experiments: a thermodynamic insight","authors":"Dimitrios Fessas, Francesca Saitta","doi":"10.1016/j.tca.2025.180143","DOIUrl":"10.1016/j.tca.2025.180143","url":null,"abstract":"<div><div>The importance of knowing the conformational structure of a protein and the related mechanism of denaturation stems from the crucial role that these macromolecules perform in the biological world, and hence the wide spectrum of possible applications in the frame of biological and pharmaceutical research activities. However, in a biological context where a significant number of proteins exists as multimers, stand-alone thermodynamic equations able to simulate and fit Differential Scanning Calorimetry (DSC) profiles involving dissociation phenomena are still missing: different valuable models have been reported in the literature since the 1980s but all were based on the application of experimental protein conversion fractions from the native to the dissociated/denatured state.</div><div>In this frame, the present work develops thermodynamic equations that are completely independent of experimental data and are related to three main models: <em>i)</em> <span><math><mrow><msub><mi>N</mi><mi>n</mi></msub><mo>↔</mo><mi>n</mi><mi>D</mi></mrow></math></span>; <em>ii)</em> <span><math><mrow><msub><mi>N</mi><mi>n</mi></msub><mo>↔</mo><mi>n</mi><mi>M</mi><mo>↔</mo><mi>n</mi><mi>D</mi></mrow></math></span>; <em>iii)</em> <span><math><mrow><msub><mi>N</mi><mi>n</mi></msub><mo>↔</mo><msub><mi>I</mi><mi>n</mi></msub><mo>↔</mo><mi>n</mi><mi>D</mi></mrow></math></span>. Beside inspecting the influence of each fitting parameter on the theoretical <span><math><mrow><msub><mi>C</mi><mi>p</mi></msub><mrow><mo>(</mo><mi>T</mi><mo>)</mo></mrow></mrow></math></span> curve for the single models, two applications to experimental results are also discussed.</div><div>Furthermore, aiming at simplifying the application of thermodynamic equations to proteins of biological and/or pharmaceutical interest, the work develops extensively the solutions for all the models considering the most common homomers, <em>i.e.</em>, dimers, trimers, and tetramers.</div><div>The methodology and strategy proposed here, that link statistical mechanics concepts (canonical partition function) with the classical thermodynamics’ equilibrium constant, are general and pave the way for the development of models that may reflect more complex scenarios than those considered in this work, if the case.</div></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":"753 ","pages":"Article 180143"},"PeriodicalIF":3.5,"publicationDate":"2025-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145332602","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
We summarise the numerical method used to process data from conventional thermogravimetric analyser/mass spectrometer coupling, giving the quantified desorption temperature distributions for each compound without requiring evolved gas calibration. The method was validated through experiments involving two compounds adsorbed onto hydrophilic zeolite preloaded with water, either from toluene solutions at varying initial concentrations in isooctane, or under dynamic gas-phase adsorption using 1,2-dichlorobenzene evaporated in a nitrogen flow. These experiments generated overlapping desorption peaks with distinct positions and shapes, representing challenging test conditions. Computed desorbed quantities were compared with adsorbed quantities from the depletion method for toluene at low and high initial concentrations. The sum of the negative-derivative thermogravimetric curves computed per compound closely matched the experimental thermogravimetry curve, confirming amplitude linearity for both thermogravimetry and mass spectrometry responses, and the independent gas mixture transfer. This validates the application of the superposition principle in the model. The close agreement between the adsorbed and computed desorbed quantities for toluene, in the presence of water and isooctane, confirmed the reliability of the numerical approach. Desorbed quantities as low as 2.2 % of the total were accurately resolved. Particular attention was given to sample preparation, especially in relation to hydrophilic materials, leading to the validation of a robust drying protocol. Finally, for the study of competitive adsorption of water and 1,2-dichlorobenzene onto FAU-Nd-Na zeolite, the method showed that 1,2-dichlorobenzene inhibits water adsorption on SIII sites and that increasing neodymium exchange shifts the water desorption temperature distribution towards lower temperatures.
{"title":"New method for quantitative thermal gravimetric analysis per compound - method validation and application to adsorption","authors":"Yves ZEREGA , Laurence TORTET , Angélique SIMON-MASSERON , Sunday Bature GAMBO , Véronique WERNERT","doi":"10.1016/j.tca.2025.180142","DOIUrl":"10.1016/j.tca.2025.180142","url":null,"abstract":"<div><div>We summarise the numerical method used to process data from conventional thermogravimetric analyser/mass spectrometer coupling, giving the quantified desorption temperature distributions for each compound without requiring evolved gas calibration. The method was validated through experiments involving two compounds adsorbed onto hydrophilic zeolite preloaded with water, either from toluene solutions at varying initial concentrations in isooctane, or under dynamic gas-phase adsorption using 1,2-dichlorobenzene evaporated in a nitrogen flow. These experiments generated overlapping desorption peaks with distinct positions and shapes, representing challenging test conditions. Computed desorbed quantities were compared with adsorbed quantities from the depletion method for toluene at low and high initial concentrations. The sum of the negative-derivative thermogravimetric curves computed per compound closely matched the experimental thermogravimetry curve, confirming amplitude linearity for both thermogravimetry and mass spectrometry responses, and the independent gas mixture transfer. This validates the application of the superposition principle in the model. The close agreement between the adsorbed and computed desorbed quantities for toluene, in the presence of water and isooctane, confirmed the reliability of the numerical approach. Desorbed quantities as low as 2.2 % of the total were accurately resolved. Particular attention was given to sample preparation, especially in relation to hydrophilic materials, leading to the validation of a robust drying protocol. Finally, for the study of competitive adsorption of water and 1,2-dichlorobenzene onto FAU-Nd-Na zeolite, the method showed that 1,2-dichlorobenzene inhibits water adsorption on SIII sites and that increasing neodymium exchange shifts the water desorption temperature distribution towards lower temperatures.</div></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":"753 ","pages":"Article 180142"},"PeriodicalIF":3.5,"publicationDate":"2025-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145227043","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Tetrandrine has been shown to exhibit broad-spectrum anticancer activity. However, its clinical application is significantly hindered by poor aqueous solubility, a short half-life, and non-specific tissue distribution. In this study, we developed a thermoresponsive injectable hydrogel drug delivery system using FDA-approved polymeric materials. The drug delivery system integrates tetrandrine-loaded nanoparticles, the tumor-penetrating peptide iRGD, and a hydrogel that undergoes phase transitions in response to temperature changes. The nanoparticles significantly improved the solubility and stability of tetrandrine. Meanwhile, the iRGD peptide promoted the specific accumulation of drug-loaded nanoparticles in tumor tissues through the αv integrin-targeting mechanism. Additionally, the thermosensitive injectable hydrogel system prolonged the retention time of iRGD and nanoparticles around the tumor site and produced a sustained-release effect, ultimately achieving a synergistic improvement in therapeutic efficacy. In vitro analyses revealed that iRGD-mediated targeting augmented cellular internalization of the nanoparticles in colorectal carcinoma cells, mechanistically attenuating migratory capacity and elevating apoptosis. Subsequent in vivo studies confirmed that the drug delivery system effectively promotes the targeted penetration of drug-loaded nanoparticles into tumor tissues and significantly enhanced tetrandrine’s anticancer efficacy while showing no detectable systemic toxicity. These results substantiate the translational potential of this multifunctional platform for precision oncology applications.
{"title":"Injectable thermosensitive hydrogels loaded with tetrandrine nanoparticles and tumor-penetrating peptide iRGD for colorectal cancer treatment","authors":"Dinghu Zhang , Pengtao Chen , Xiaoxia Wu , Jie Chai , Chaoyi Qian , Jiajun Wang , Hui Zeng , Tianhui Chen , Guangyi Gao","doi":"10.1016/j.tca.2025.180141","DOIUrl":"10.1016/j.tca.2025.180141","url":null,"abstract":"<div><div>Tetrandrine has been shown to exhibit broad-spectrum anticancer activity. However, its clinical application is significantly hindered by poor aqueous solubility, a short half-life, and non-specific tissue distribution. In this study, we developed a thermoresponsive injectable hydrogel drug delivery system using FDA-approved polymeric materials. The drug delivery system integrates tetrandrine-loaded nanoparticles, the tumor-penetrating peptide iRGD, and a hydrogel that undergoes phase transitions in response to temperature changes. The nanoparticles significantly improved the solubility and stability of tetrandrine. Meanwhile, the iRGD peptide promoted the specific accumulation of drug-loaded nanoparticles in tumor tissues through the αv integrin-targeting mechanism. Additionally, the thermosensitive injectable hydrogel system prolonged the retention time of iRGD and nanoparticles around the tumor site and produced a sustained-release effect, ultimately achieving a synergistic improvement in therapeutic efficacy. <em>In vitro</em> analyses revealed that iRGD-mediated targeting augmented cellular internalization of the nanoparticles in colorectal carcinoma cells, mechanistically attenuating migratory capacity and elevating apoptosis. Subsequent <em>in vivo</em> studies confirmed that the drug delivery system effectively promotes the targeted penetration of drug-loaded nanoparticles into tumor tissues and significantly enhanced tetrandrine’s anticancer efficacy while showing no detectable systemic toxicity. These results substantiate the translational potential of this multifunctional platform for precision oncology applications.</div></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":"754 ","pages":"Article 180141"},"PeriodicalIF":3.5,"publicationDate":"2025-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145334753","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-09-18DOI: 10.1016/j.tca.2025.180140
Shuli Wang , Han Shen , Zhuo Li , Zhigen Wu
This paper numerically studies sodium nitrate (phase change material, PCM) infiltrated into honeycomb ceramic's thermal performance. Findings show higher inlet air velocity enhances heat storage power of both pure honeycomb ceramics and composite phase change heat storage ceramics (CPCMs), shortening CPCMs' phase change time and boosting overall rate. In CPCMs, higher sodium nitrate proportion prolongs phase change time, improving heat storage. At 5 m/s inlet velocity, increasing PCM infiltration from 10 % to 40 % and 50 % negligibly affects average power but raises capacity by 67 % and 90 % respectively. Higher air velocity and PCM infiltration accelerate sodium nitrate melting in CPCMs, increasing latent heat share and reducing sensible heat, though the latter remains significant.
{"title":"Characterization and thermal performance of NaNO3/honeycomb ceramic composite phase change materials for thermal energy storage","authors":"Shuli Wang , Han Shen , Zhuo Li , Zhigen Wu","doi":"10.1016/j.tca.2025.180140","DOIUrl":"10.1016/j.tca.2025.180140","url":null,"abstract":"<div><div>This paper numerically studies sodium nitrate (phase change material, PCM) infiltrated into honeycomb ceramic's thermal performance. Findings show higher inlet air velocity enhances heat storage power of both pure honeycomb ceramics and composite phase change heat storage ceramics (CPCMs), shortening CPCMs' phase change time and boosting overall rate. In CPCMs, higher sodium nitrate proportion prolongs phase change time, improving heat storage. At 5 m/s inlet velocity, increasing PCM infiltration from 10 % to 40 % and 50 % negligibly affects average power but raises capacity by 67 % and 90 % respectively. Higher air velocity and PCM infiltration accelerate sodium nitrate melting in CPCMs, increasing latent heat share and reducing sensible heat, though the latter remains significant.</div></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":"753 ","pages":"Article 180140"},"PeriodicalIF":3.5,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145109133","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-09-16DOI: 10.1016/j.tca.2025.180139
Mauro Ricardo S. Silveira , Carlos Arthur Ferreira , Laurent Ferry , José-Marie Lopez-Cuesta
The phosphorus-containing Novolac Epoxy modified with silsesquioxane (POSS) compounds to enhance flame retardancy and thermal behavior was investigated in this study. Two POSS compounds were used: octaphenyl polyhedral oligomeric silsesquioxane (OctaPOSS), and dodecaphenyl polyhedral oligomeric silsesquioxanes (DodecaPOSS). The results of DMA revealed an increase in the glass transition of the modified samples, with a significant shift in the Tan Delta peak (from 109.0 °C to 127.2 °C), indicating improved thermal stability. Thermogravimetric analysis confirmed enhanced thermal stability and charring effect, with modified samples exhibiting higher residue contents; such as OctaPOSS containing 2 wt% silicon and 1 wt% phosphorus, which produced nearly 6 wt% more residue than neat Novolac Epoxy. Flame-retardant tests, including vertical burning test and limiting oxygen index (LOI), demonstrated the effectiveness of the modified systems. OctaPOSS and DodecaPOSS containing 2 wt% silicon and 2 wt% phosphorus achieved a V0 rating and an LOI of 29.5 %, confirming self-extinguishing performance. Improved flame retardancy and reduced heat release were evidenced by cone calorimetry and microscale combustion calorimetry (MCC). OctaPOSS (2 wt% silicon and 2 wt% phosphorus) showed a 6 2% reduction in peak release rate (pHRR) from 1188 kW/m² for the neat Novolac Epoxy to 455 kW/m², and a heat release capacity (HRC) of 107 J/(g K), approximately 70 % lower than the neat sample. In addition, the fire growth rate reduction of 4.6 kW/(m² s), indicating improved flame retardancy. The combination of POSS and organophosphorus flame retardant also enhanced the charring effect, promoting a more cohesive layer and improving fire safety.
{"title":"Flame retardancy of phosphorus-containing novolac epoxy-silsesquioxanes","authors":"Mauro Ricardo S. Silveira , Carlos Arthur Ferreira , Laurent Ferry , José-Marie Lopez-Cuesta","doi":"10.1016/j.tca.2025.180139","DOIUrl":"10.1016/j.tca.2025.180139","url":null,"abstract":"<div><div>The phosphorus-containing Novolac Epoxy modified with silsesquioxane (POSS) compounds to enhance flame retardancy and thermal behavior was investigated in this study. Two POSS compounds were used: octaphenyl polyhedral oligomeric silsesquioxane (OctaPOSS), and dodecaphenyl polyhedral oligomeric silsesquioxanes (DodecaPOSS). The results of DMA revealed an increase in the glass transition of the modified samples, with a significant shift in the Tan Delta peak (from 109.0 °C to 127.2 °C), indicating improved thermal stability. Thermogravimetric analysis confirmed enhanced thermal stability and charring effect, with modified samples exhibiting higher residue contents; such as OctaPOSS containing 2 wt% silicon and 1 wt% phosphorus, which produced nearly 6 wt% more residue than neat Novolac Epoxy. Flame-retardant tests, including vertical burning test and limiting oxygen index (LOI), demonstrated the effectiveness of the modified systems. OctaPOSS and DodecaPOSS containing 2 wt% silicon and 2 wt% phosphorus achieved a V0 rating and an LOI of 29.5 %, confirming self-extinguishing performance. Improved flame retardancy and reduced heat release were evidenced by cone calorimetry and microscale combustion calorimetry (MCC). OctaPOSS (2 wt% silicon and 2 wt% phosphorus) showed a 6 2% reduction in peak release rate (pHRR) from 1188 kW/m² for the neat Novolac Epoxy to 455 kW/m², and a heat release capacity (HRC) of 107 J/(g K), approximately 70 % lower than the neat sample. In addition, the fire growth rate reduction of 4.6 kW/(m² s), indicating improved flame retardancy. The combination of POSS and organophosphorus flame retardant also enhanced the charring effect, promoting a more cohesive layer and improving fire safety.</div></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":"753 ","pages":"Article 180139"},"PeriodicalIF":3.5,"publicationDate":"2025-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145158140","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-09-12DOI: 10.1016/j.tca.2025.180138
Guifang Wang , Dan Chen , Wanchun Ren , Chun Li , Baojian Liu , Shaofeng Cai , Hongwei Yang , Junde Pu
Packaging thermal resistance drastically impacts the reliability of power metal oxide semiconductor field effect transistor (MOSFET) devices. However, the absence of an accurate simulation model for packaging thermal resistance has become a crucial obstacle to investigating the thermal reliability of MOSFETs. This work considered the detailed geometry of power MOSFET devices and constructed a refined model utilizing the multi-layer equivalent simplification method. Furthermore, the model integrated temperature compensation based on the influence of ambient temperature on thermal resistance measurement. Ultimately, the constructed accurate simulation model was utilized to assess the thermal resistance of various package types. Experimental verification shows that an accuracy exceeding 98.50 % was achieved through refined chip modeling and ambient temperature compensation. These findings in this work provide technical support for understanding the packaging thermal resistance generation mechanism and optimizing the packaging process design of power MOSFETs.
{"title":"Refined 3D simulation model with temperature compensation for the packaging thermal resistance of power MOSFET","authors":"Guifang Wang , Dan Chen , Wanchun Ren , Chun Li , Baojian Liu , Shaofeng Cai , Hongwei Yang , Junde Pu","doi":"10.1016/j.tca.2025.180138","DOIUrl":"10.1016/j.tca.2025.180138","url":null,"abstract":"<div><div>Packaging thermal resistance drastically impacts the reliability of power metal oxide semiconductor field effect transistor (MOSFET) devices. However, the absence of an accurate simulation model for packaging thermal resistance has become a crucial obstacle to investigating the thermal reliability of MOSFETs. This work considered the detailed geometry of power MOSFET devices and constructed a refined model utilizing the multi-layer equivalent simplification method. Furthermore, the model integrated temperature compensation based on the influence of ambient temperature on thermal resistance measurement. Ultimately, the constructed accurate simulation model was utilized to assess the thermal resistance of various package types. Experimental verification shows that an accuracy exceeding 98.50 % was achieved through refined chip modeling and ambient temperature compensation. These findings in this work provide technical support for understanding the packaging thermal resistance generation mechanism and optimizing the packaging process design of power MOSFETs.</div></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":"753 ","pages":"Article 180138"},"PeriodicalIF":3.5,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145105708","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-09-09DOI: 10.1016/j.tca.2025.180136
P.L. Pavan Kumar , B.J. Gireesha , P. Venkatesh
The present research introduces the comprehensive thermal evaluation of a fully wet porous wavy fin integrated with trihybrid nanofluid under combined radiative–convective and internal heat generation effects, offering a novel configuration for advanced thermal systems. To advance traditional cooling methods and achieve greater thermal efficiency, the present study investigates the thermal performance of porous wavy fin immersed in trihybrid nanofluid composed of andin a base fluid of ethylene glycol and water. Darcy's law is employed to model the interaction between the fluid and the fin porous medium, leading to a second-order nonlinear ordinary differential equation solved using the Runge-Kutta-Fehlberg method and is validated against existing literature. The study graphically examines the effects of key variables including the convective parameter (), radiative parameter (), wave number () and other relevant parameters on the thermal profile and efficiency of porous wavy fin. Further, trihybrid nanofluid outperform hybrid nanofluid and nanofluid due to their superior thermal conductivity. The thermal difference analysis shows that has smaller temperature differences and narrower error bands, while exhibits larger differences reflecting the lesser efficiency of . The results show that wavy fin in THNF configurations achieve significantly higher temperature distribution and thermal efficiency than both HNF and NF, establishing the THNF–wavy fin combination as an effective solution for next-generation thermal systems. This study provides valuable insights into optimizing porous fin designs and nanofluid applications for thermal management systems.
{"title":"Enhanced thermal management and efficiency of porous wavy fin using trihybrid nanofluids: A comparative study with hybrid nanofluids and nanofluids","authors":"P.L. Pavan Kumar , B.J. Gireesha , P. Venkatesh","doi":"10.1016/j.tca.2025.180136","DOIUrl":"10.1016/j.tca.2025.180136","url":null,"abstract":"<div><div>The present research introduces the comprehensive thermal evaluation of a fully wet porous wavy fin integrated with trihybrid nanofluid under combined radiative–convective and internal heat generation effects, offering a novel configuration for advanced thermal systems. To advance traditional cooling methods and achieve greater thermal efficiency, the present study investigates the thermal performance of porous wavy fin immersed in trihybrid nanofluid composed of <span><math><mrow><mi>M</mi><mi>W</mi><mi>C</mi><mi>N</mi><mi>T</mi><mo>,</mo><mspace></mspace><mi>A</mi><mi>g</mi><mspace></mspace></mrow></math></span>and<span><math><mrow><mspace></mspace><mi>C</mi><mi>u</mi><mspace></mspace></mrow></math></span>in a base fluid of ethylene glycol and water. Darcy's law is employed to model the interaction between the fluid and the fin porous medium, leading to a second-order nonlinear ordinary differential equation solved using the Runge-Kutta-Fehlberg method and is validated against existing literature. The study graphically examines the effects of key variables including the convective parameter (<span><math><mrow><mi>N</mi><mi>c</mi></mrow></math></span>), radiative parameter (<span><math><mrow><mi>N</mi><mi>r</mi></mrow></math></span>), wave number (<span><math><mi>n</mi></math></span>) and other relevant parameters on the thermal profile and efficiency of porous wavy fin. Further, trihybrid nanofluid outperform hybrid nanofluid and nanofluid due to their superior thermal conductivity. The thermal difference analysis shows that <span><math><mrow><mi>T</mi><mi>H</mi><mi>N</mi><mi>F</mi><mo>−</mo><mi>H</mi><mi>N</mi><mi>F</mi></mrow></math></span> has smaller temperature differences and narrower error bands, while <span><math><mrow><mi>T</mi><mi>H</mi><mi>N</mi><mi>F</mi><mo>−</mo><mi>N</mi><mi>F</mi></mrow></math></span> exhibits larger differences reflecting the lesser efficiency of <span><math><mrow><mi>N</mi><mi>F</mi></mrow></math></span>. The results show that wavy fin in THNF configurations achieve significantly higher temperature distribution and thermal efficiency than both HNF and NF, establishing the THNF–wavy fin combination as an effective solution for next-generation thermal systems. This study provides valuable insights into optimizing porous fin designs and nanofluid applications for thermal management systems.</div></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":"753 ","pages":"Article 180136"},"PeriodicalIF":3.5,"publicationDate":"2025-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145105709","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-09-09DOI: 10.1016/j.tca.2025.180135
Jiajun Guo , Wentao Ji , Yabei Xu , Zhitao Chen , Yang Su , Yan Wang
This paper takes the typical thermally unstable azo compound AIBN as the research object. For the key free radicals in its explosive chain reaction, two inhibitors and two target inhibitory additives were selected. Through a 20-liter spherical test device and gas-phase product analysis, the inhibitory effect of the target inhibitory additives on the explosive chain reaction was derived. The inhibition mechanism was expounded from both physical and chemical inhibition aspects through ARC experiments.The experimental results show that AIBN has very high risk of explosion and severity,. However, the compounding of DW with FAS and KI can effectively inhibit the explosion pressure and achieve complete explosion suppression, while also inhibiting the generation of toxic gases. The ARC studies discovered that FAS and KI can increase the adiabatic temperature of the thermal decomposition process of AIBN and significantly reduce the apparent activation energy of the reaction to achieve the effect of inertia.
{"title":"Targeted inhibition of AIBN explosion chain reactions: Gas-phase product characterization and thermal decomposition kinetics","authors":"Jiajun Guo , Wentao Ji , Yabei Xu , Zhitao Chen , Yang Su , Yan Wang","doi":"10.1016/j.tca.2025.180135","DOIUrl":"10.1016/j.tca.2025.180135","url":null,"abstract":"<div><div>This paper takes the typical thermally unstable azo compound AIBN as the research object. For the key free radicals in its explosive chain reaction, two inhibitors and two target inhibitory additives were selected. Through a 20-liter spherical test device and gas-phase product analysis, the inhibitory effect of the target inhibitory additives on the explosive chain reaction was derived. The inhibition mechanism was expounded from both physical and chemical inhibition aspects through ARC experiments.The experimental results show that AIBN has very high risk of explosion and severity,. However, the compounding of DW with FAS and KI can effectively inhibit the explosion pressure and achieve complete explosion suppression, while also inhibiting the generation of toxic gases. The ARC studies discovered that FAS and KI can increase the adiabatic temperature of the thermal decomposition process of AIBN and significantly reduce the apparent activation energy of the reaction to achieve the effect of inertia.</div></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":"753 ","pages":"Article 180135"},"PeriodicalIF":3.5,"publicationDate":"2025-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145045994","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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