Xueqin Liao , Binghong Chen , Qiaoyu Zhang , Zehao Li , Jianzhong Liu
{"title":"Heat release behavior of aluminum particles under pure nitrogen atmosphere","authors":"Xueqin Liao , Binghong Chen , Qiaoyu Zhang , Zehao Li , Jianzhong Liu","doi":"10.1016/j.tca.2025.180014","DOIUrl":"10.1016/j.tca.2025.180014","url":null,"abstract":"<div><div>Herein, a thermal analysis system and a laser combustion diagnostic system were employed to comparatively investigate the reaction behavior differences of Al particles in N<sub>2</sub> and oxidizing atmospheres. The results show that Al particles have higher mass gain and heat release in N<sub>2</sub> compared to air and carbon dioxide at low heating rates. When the temperature is increased to 1000 °C, the reaction efficiency of Al in nitrogen is as high as 56.68%, much higher than that of 16.02% for air and 17.41% for carbon dioxide. Broken particles and large-sized agglomerates are found in the intermediate nitride products, and the particle surfaces become loose and porous. Combustion test results show that the combustion performance of Al particles in air is better than that in N<sub>2</sub>. Nanoscale smooth spherical alumina particles are found in the condensed combustion products of Al particles under air. Whisker-like aluminum nitride (AlN) is observed under nitrogen.</div></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":"749 ","pages":"Article 180014"},"PeriodicalIF":3.1,"publicationDate":"2025-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143887038","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}
Baichao Zang , Baoshu Chen , Xiping Gao , Dahu Yao , Jing Chen , Chang Lu
{"title":"Synergistic flame retardant mechanism of MoO₃ and intumescent flame retardants: Insights from real-time char layer resistance monitoring","authors":"Baichao Zang , Baoshu Chen , Xiping Gao , Dahu Yao , Jing Chen , Chang Lu","doi":"10.1016/j.tca.2025.180013","DOIUrl":"10.1016/j.tca.2025.180013","url":null,"abstract":"<div><div>This study explores the synergistic flame retardant mechanism of molybdenum trioxide (MoO₃) and intumescent flame retardants (IFRs) in a styrene-butadiene-styrene (SBS) matrix using real-time resistance monitoring. By tracking the char layer resistance during combustion and combining multiple characterization techniques, we examined MoO₃’s impact on the char layer morphology. The results demonstrate that the incorporation of MoO₃ enhances the flame-retardant performance of IFR. At 1 wt % MoO₃, the UL-94 rating improves from non-classified to V-1. Thermogravime tric Analysis reveals that MoO₃ lowers the initial decomposition temperature of the material from 240 °C to 231 °C while increasing the char residue. X-ray Photoelectron Spectroscopy and Fourier transform infrared analyses confirm that MoO₃ acts as a catalyst, promoting ammonium polyphosphate decomposition and facilitating the formation of phosphate esters, which enhance the char layer's viscosity and compactness. While MoO₃ does not directly participate in char crosslinking, it accelerates char formation, improves expansion, and strengthens flame retardancy. Real-time resistance data further indicate that MoO₃ reduces char formation time and slows char layer cracking, thereby enhancing flame resistance. This study provides new insights into the MoO₃/IFR synergy and introduces a novel approach for monitoring char layer changes during combustion.</div></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":"749 ","pages":"Article 180013"},"PeriodicalIF":3.1,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143887037","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}
Pedro Jesús Rodríguez de Rivera , Miriam Rodríguez de Rivera , Fabiola Socorro , Manuel Rodríguez de Rivera
{"title":"Modelling of heat conduction calorimeters. Case of a non-differential skin calorimeter","authors":"Pedro Jesús Rodríguez de Rivera , Miriam Rodríguez de Rivera , Fabiola Socorro , Manuel Rodríguez de Rivera","doi":"10.1016/j.tca.2025.180015","DOIUrl":"10.1016/j.tca.2025.180015","url":null,"abstract":"<div><div>In non-differential calorimeters, the ambient temperature, the thermostat temperature, and the thermostat cooling system affect the measured heat flux. For this reason, the modelling and calibration procedures should take into account all the variables that affect the heat flux transmitted through the calorimeter. In this work, we present the complete calibration of three non-differential skin calorimeters designed to measure the heat flux, the heat capacity and the thermal resistance of a localized skin surface. In addition, the incorporation of the skin into the calorimetric model allows the determination of the core temperature of the tissue where the measurement is performed. The electrical calibration is validated with measurements with the three calorimeters on the volar and dorsal areas of the wrist of a healthy 30-year-old male subject.</div></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":"749 ","pages":"Article 180015"},"PeriodicalIF":3.1,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143879156","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}
Mohammad Saleh Sedighi , Hassan Pahlavanzadeh , Mehdi Ardjmand , Mahdi Goharrokhi
{"title":"Solubility of CO2 in aqueous solution of MDEA promoted by K2CO3 Experimental investigation and thermodynamic modeling","authors":"Mohammad Saleh Sedighi , Hassan Pahlavanzadeh , Mehdi Ardjmand , Mahdi Goharrokhi","doi":"10.1016/j.tca.2025.179988","DOIUrl":"10.1016/j.tca.2025.179988","url":null,"abstract":"<div><div>The main objective of this study is to experimentally investigate the CO<sub>2</sub> solubility in an aqueous solution of N-methyldiethanolamine (MDEA) promoted by Potassium carbonate (K<sub>2</sub>CO<sub>3</sub>) at 303, 313, 323 Kelvin and atmospheric pressure, and to model the behavior of this system. Therefore, it comprises two main sections: experimental and modeling. The experimental section examines and compares the solubility of CO<sub>2</sub> into pure MDEA, pure K<sub>2</sub>CO<sub>3</sub>, and their mixtures. The results showed that mixed solutions (MDEA 10–30 % promoted by K<sub>2</sub>CO<sub>3</sub> 5–10 %) have higher CO<sub>2</sub> solubility compared to pure MDEA and K<sub>2</sub>CO<sub>3</sub> at most points. The experiments were carried out using an apparatus for determining gas solubility in liquid (introduced by Pahlavanzadeh et al., 2006, 2009). Based on the data obtained in the experimental section, modeling of the CO<sub>2</sub> solubility into MDEA promoted by K<sub>2</sub>CO<sub>3</sub> was performed. The CTS model (introduced by Medeiros et al., 2008, 2013) was used in this study after improvement in the electrolytic section. This model, called CTS<sup>DH</sup>, includes three parts: physical, association, and electrolyte. Using the adjustable parameters obtained in this work, the CTS<sup>DH</sup> EoS was able to provide relatively good CO<sub>2</sub> loading in a wide range of operating conditions. The average absolute deviation of model results compared to experimental data was determined to be 3.4 %.</div></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":"749 ","pages":"Article 179988"},"PeriodicalIF":3.1,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143838215","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}
Xingang Meng , Zhiqiang Wang , Jianping Song , Yuting Tao , Haobin Zhang , Shiliang Huang , Jie Sun , Xiong Cao , Jinjiang Xu
{"title":"Size-dependent phase transition dynamics in HMX crystals: Mechanistic insights from defect-mediated transformation","authors":"Xingang Meng , Zhiqiang Wang , Jianping Song , Yuting Tao , Haobin Zhang , Shiliang Huang , Jie Sun , Xiong Cao , Jinjiang Xu","doi":"10.1016/j.tca.2025.180012","DOIUrl":"10.1016/j.tca.2025.180012","url":null,"abstract":"<div><div>The size effects of energetic materials (EMs) particles has a profound influence on their solid-state phase transition (PT) and structural damage. In this study, the PT behavior of large-sized 1,3,5,7-tetranitro-1,3,5,7-tetrazole (HMX) was studied by a series of characterization methods. It has been demonstrated that both internal defects and surface damage of large-size HMX occur approximately 20 °C earlier than that of small-size HMX. The kinetic analysis demonstrates that the PT of large-size HMX is comprised of two distinct steps. The initial step is characterised by fragmentation, while the subsequent step represents the PT in its strict sense. This makes the PT process appear more clearer in comparison to the powder form of HMX. Additionally, it was determined that varying humidity levels exert an influence on the HMX phase recover. This provides fundamental support for a correct understanding of HMX solid-state PT.</div></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":"749 ","pages":"Article 180012"},"PeriodicalIF":3.1,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143856022","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}
Yuqing Zhou , Jun Nan Yang , Haoming He , Shi Yao Zhang , Ke Ren Deng , Shiyang Li , Ding Hu , Zhimin Wu , Liu Tan
{"title":"Insights on the role of KFCT in phase transition and thermal decomposition mechanism of ammonium nitrate","authors":"Yuqing Zhou , Jun Nan Yang , Haoming He , Shi Yao Zhang , Ke Ren Deng , Shiyang Li , Ding Hu , Zhimin Wu , Liu Tan","doi":"10.1016/j.tca.2025.180005","DOIUrl":"10.1016/j.tca.2025.180005","url":null,"abstract":"<div><div>AN-based products face challenges due to the phase transition at room temperature and structural instability. To better look into the thermal decomposition mechanism of AN, potassium ferrocyanide (KFCT) was selected as an additive to study its effect on the crystal form modulation and the thermal decomposition of AN. The results show that AN/KFCT co-crystal that does not undergo phase transition at room temperature was prepared. The thermal decomposition of AN/KFCT co-crystal is divided into three stages compared to that of pure AN. Thermal findings highlighted that Fe<sup>3+</sup>can reduce the thermal stability of AN. Co-crystallization enables Fe<sup>2+</sup> to be encapsulated in crystals and therefore not oxidized during evaporative crystallization. Fe<sup>2+</sup>can inhibit the auto-catalytic process of AN by consuming auto-catalytic factor (NO<sub>2</sub>). Furthermore, the TG-MS was used to study the thermal decomposition mechanism of AN/KFCT co-crystal. The thermal decomposition pathways of AN/KFCT co-crystal was clear constructed.</div></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":"749 ","pages":"Article 180005"},"PeriodicalIF":3.1,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143835251","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}
Fanqin Xiong , Baozhong Zhu , Cong Jiang , Changqing Su , Jun Liu , Jiuyu Chen , Minggao Xu , Yunlan Sun
{"title":"Study on the combustion performance and micro-reaction mechanism of aluminum nanoparticles modified by fluorinated graphene with different contents","authors":"Fanqin Xiong , Baozhong Zhu , Cong Jiang , Changqing Su , Jun Liu , Jiuyu Chen , Minggao Xu , Yunlan Sun","doi":"10.1016/j.tca.2025.180002","DOIUrl":"10.1016/j.tca.2025.180002","url":null,"abstract":"<div><div>Utilizing fluorinated graphene (FG) to modify aluminum nanoparticles (Al NPs) can improve their reaction performance, but the optimal ratio and the interaction mechanism are not yet clear. In this study, experimental research was combined with ReaxFF molecular dynamics simulations to explore the effect of FG content on the combustion performance of Al/FG composites, and to reveal the micro-reaction mechanism. The results indicate that when FG content is low, its modification effect on the Al NPs is limited. As FG content increases, the reaction performance and combustion characteristics are significantly improved. However, excessive FG can reduce the reaction efficiency of FG and lead to the serious decrease in system energy density. The optimal FG content is about 30 wt. %. This study fills the gap in FG-modified Al NPs and provides guidance for the practical application of modified Al particles.</div></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":"749 ","pages":"Article 180002"},"PeriodicalIF":3.1,"publicationDate":"2025-04-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143843599","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}
Tobías Schmidt De León , María L. Salum , Rosa Erra-Balsells
{"title":"Thermal stability of ionic matrices for MALDI-MS. A comparative study in solid state with classical matrices","authors":"Tobías Schmidt De León , María L. Salum , Rosa Erra-Balsells","doi":"10.1016/j.tca.2025.180004","DOIUrl":"10.1016/j.tca.2025.180004","url":null,"abstract":"<div><div>Matrix-Assisted Laser Desorption/Ionization (MALDI) relies on the rapid absorption of laser energy by the matrix initiating a succession of events occurring in a high-vacuum chamber, including energy redistribution, temperature increase, analyte and matrix desorption, and their ionization. This study investigates the thermal behavior of classical acidic MALDI matrices (<em>E-</em>sinapinic acid (ESA), <em>E-</em>ferulic acid (EFE), <em>E-p-</em>coumaric acid (ECUM), and <em>E</em>-α-cyano-4-hydroxycinnamic acid (ECHCA)), their <em>Z</em>-isomers (ZSA, ZFE, ZCUM), and their salts formed with organic amines called ionic matrices (IMs). Using TGA, DSC, and <sup>1</sup>H NMR spectroscopy, we observed that <em>ortho</em>/<em>para</em>-substituted <em>E</em>-cinnamic acids with electron-donating groups thermally decompose via decarboxylation to produce styrene derivatives. IMs exhibited lower melting and decomposition temperatures compared to the crystalline matrix, improving the desorption/ionization process. However, IMs demonstrated lower analyte signal stability under successive laser shots, likely due to increased thermal decomposition.</div></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":"749 ","pages":"Article 180004"},"PeriodicalIF":3.1,"publicationDate":"2025-04-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143843598","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}
Łukasz Omen , Andrzej J. Panas , Robert Szczepaniak , Andrzej Dudziński
{"title":"Microcalorimetric analysis of granular microencapsulated phase change material including the effects of thermal cycling","authors":"Łukasz Omen , Andrzej J. Panas , Robert Szczepaniak , Andrzej Dudziński","doi":"10.1016/j.tca.2025.180001","DOIUrl":"10.1016/j.tca.2025.180001","url":null,"abstract":"<div><div>The subject of the article is the study of granular microcapsules filled with BASF Micronal DS5038 X phase change material (PCM) using thermal analysis methods: thermogravimetry (TG) and microcalorimetry (DSC). The core DSC measurements were performed over a temperature range covering −20 °C to 55 °C or 80 °C, i.e. the area of the two identified, separable ranges of phase change for the filling material. Varying rates of heating/cooling ranging from 1 K·min<sup>−1</sup> to 10 K·min<sup>−1</sup> were used. The results of the microcalorimetric measurements were supplemented with TG results, ranging from 25 °C to 550 °C. The characterisation of the studied granulate was also complemented by the results of microscopic and profilometric studies documenting the structure of the microcapsules. Based on the results, the enthalpy and temperature of the onset and end of the observed phase changes were determined, as well as representative temperature dependencies of the apparent specific heat were determined – for both heating and cooling processes. The behaviour of the pellets under cyclic forcing of temperature changes with different rates of change was also documented.</div></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":"748 ","pages":"Article 180001"},"PeriodicalIF":3.1,"publicationDate":"2025-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143823542","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}
{"title":"Study on the effect of rice husk ash and nano silica on the early hydration kinetic characteristics of oil well cement","authors":"Tianle Liu , Hao Xu , Shaojun Zheng , Huaimeng Gu , Dayang Wen , Yonglin Shan , Guosheng Jiang , Tian Dai","doi":"10.1016/j.tca.2025.179995","DOIUrl":"10.1016/j.tca.2025.179995","url":null,"abstract":"<div><div>To explore the feasibility of using rice husk ash (RHA) as a substitute for nano-silica (NS) in partially replacing oil well cement and establishing a green, low-carbon oil well cement system, this study explores the effects of RHA and NS on the early hydration kinetics of cement using isothermal calorimetry at 20, 30, and 50 °C. The hydration exothermic rate and cumulative heat release of oil well cement with varying RHA and NS dosages were analyzed by isothermal calorimetry. Based on the Krstulovic’-Dabic’ model, hydration kinetics were evaluated and validated through thermogravimetric analysis. Results showed that RHA accelerated the peak exothermic rate and increased its intensity by 11.09 % and 38.62 % at 20 °C and 30 °C, respectively, with temperature effects being more pronounced at 50 °C. Both RHA and NS shortened induction and acceleration periods, enhanced product nucleation and growth rates, and prolonged phase boundary reactions. As temperature rose, RHA's pozzolanic activity significantly boosted cement hydration. The kinetic model effectively described the early hydration characteristics, offering insights into RHA's role in cement hydration.</div></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":"748 ","pages":"Article 179995"},"PeriodicalIF":3.1,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143829312","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}