{"title":"Doping SrSnO3 perovskite with transition metals: Synthesis of double hydroxides, thermal decomposition, and pigment potential","authors":"","doi":"10.1016/j.tca.2024.179864","DOIUrl":"10.1016/j.tca.2024.179864","url":null,"abstract":"<div><p>The primary objective of this research is to explore the feasibility of synthesizing phase-pure perovskite SrSnO<sub>3</sub> doped with transition metals and to evaluate the potential of these products as high-temperature inorganic pigments. The initial step in preparing perovskite powders with the general formula SrSn<sub>0.95</sub>M<sub>0.05</sub>O<sub>3-δ</sub> (<em>M</em> = Mn, Fe, Co, Ni) involved synthesizing SrSn<sub>0.95</sub>M<sub>0.05</sub>(OH)<sub>6</sub> followed by its thermal decomposition. The thermal decomposition processes and the reaction pathway for perovskite formation were analyzed using thermal analysis and X-ray diffraction analysis. Single-phase products of beige SrSn<sub>0.95</sub>Fe<sub>0.05</sub>O<sub>3-δ</sub> and brown SrSn<sub>0.95</sub>Co<sub>0.05</sub>O<sub>3-δ</sub> were successfully obtained by calcining the precursors at 1,100 °C. In contrast, brown SrSn<sub>0.95</sub>Mn<sub>0.05</sub>O<sub>3-δ</sub> contained a phase impurity of SnO<sub>2</sub> and doping with Ni ions resulted in a phase mixture of SrSnO<sub>3</sub> and NiO. The pigment quality of the powders was assessed based on their color parameters, described using the CIE Lab system.</p></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":null,"pages":null},"PeriodicalIF":3.1,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142232862","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":"Thermal conductivity of epoxy/multilayered graphene composites prepared with different curing agents","authors":"","doi":"10.1016/j.tca.2024.179866","DOIUrl":"10.1016/j.tca.2024.179866","url":null,"abstract":"<div><p>Epoxy/multilayer graphene (ML-graphene) composites were prepared using different curing agents to control the graphene dispersion by changing the curing reactivity. With increasing initial reactivity, the aggregation size of the ML-graphene decreased and their thermal conductivity increased. In particular, the thermal conductivity of the composite prepared with <em>p</em>-phenylenediamine showed a maximum value of 1.46 W/(m·K) at 25 wt% ML-graphene loading because of the highest initial curing reactivity. The application of a magnetic field led to graphene alignment along the applied field, resulting in two times higher thermal conductivity than that of the corresponding system without magnetic field. The relationship between the interfacial affinity for epoxy/graphene and thermal conductivity was also investigated. As a result, resulting in a biphenyl epoxy composite showed higher thermal conductivity (6.17 W/(m·K)) than that of the bisphenol-A epoxy composite. This is derived that the π-conjugated and planar structure of biphenyl epoxy can easily interact with the surface of graphene.</p></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":null,"pages":null},"PeriodicalIF":3.1,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142240430","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":"Experimental investigation and thermodynamic modeling for isobaric heat capacity of ethanol at elevated temperatures and pressures","authors":"","doi":"10.1016/j.tca.2024.179865","DOIUrl":"10.1016/j.tca.2024.179865","url":null,"abstract":"<div><p>Ethanol is a promising sustainable fuel for its environmental friendliness and renewability. Due to the association effect in ethanol molecules, the particular behavior in isobaric heat capacity was explored by combining experimental and theoretical methods. Experimental isobaric heat capacity measurements of ethanol were performed over the temperature range from (298.15 to 573.15) K and at pressures up to 15 MPa in both liquid and vapor phases by a flow calorimeter. Different association schemes were combined respectively with PC-SAFT equation of state and SAFT-VR Mie equation of state to compare their accuracy in isobaric heat capacity prediction, and it could be concluded that two-site (2B) model was better than three-site (3B) model. It was also found that PC-SAFT equation of state was able to yield good results in predicting the isobaric heat capacity far from the saturated state and critical region, however, SAFT-VR Mie equation of state showed better prediction performance near the saturated state and critical region.</p></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":null,"pages":null},"PeriodicalIF":3.1,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142229086","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":"Thermotropic phase behavior, structure and supramolecular organization of N, O-diacyl-β-alaninols with matched N- and O-acyl chains (n = 9-18)","authors":"","doi":"10.1016/j.tca.2024.179852","DOIUrl":"10.1016/j.tca.2024.179852","url":null,"abstract":"<div><p>The thermotropic phase behavior, molecular structure and supramolecular organization of a homologous series of <em>N,O</em>-diacyl-β-alaninols (DABAOHs) with matched acyl chains (C9-C18) are reported. The C9-C11 DABAOHs showed a single thermotropic transition in DSC studies, whereas the longer chainlength compounds gave two transitions. Transition temperatures, enthalpies and entropies of the DABAOHs exhibited odd-even alternation, suggesting minor differences in the packing of odd- and even chain length compounds. Crystal structure of <em>N,O</em>-didecanoyl-β-alaninol revealed a bent geometry, with several N-H···O and C-H···O hydrogen bonds stabilizing the molecular packing. Powder X-ray diffraction studies suggested that all DABAOHs are packed in a tilted bilayer mode. These results provide a thermodynamic and structural basis for investigating the structure-function relationships of <em>N,O</em>-diacyl-β-alaninols.</p></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":null,"pages":null},"PeriodicalIF":3.1,"publicationDate":"2024-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142149237","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":"Phase change materials encapsulated in graphene hybrid aerogels with high thermal conductivity for efficient solar-thermal energy conversion and thermal management of solar PV panels","authors":"","doi":"10.1016/j.tca.2024.179853","DOIUrl":"10.1016/j.tca.2024.179853","url":null,"abstract":"<div><p>Phase change materials (PCMs) have a wide range of applications in latent heat storage and thermal management. However, their practical use is hindered by high leakage rates and low thermal conductivity. To address these issues, polyvinyl alcohol/carboxylated carbon nanotubes/graphene hybrid aerogels (PCG) were carbonized at high temperatures to obtain polyvinyl alcohol/carboxylated carbon nanotubes/graphene carbon aerogels (cPCG). Polyethylene glycol (PEG) was then encapsulated within cPCG to form cPCG@PEG shape-stabilized PCMs (SSPCMs). These cPCG@PEG SSPCMs demonstrated excellent thermal conductivity (0.843 W•m<sup>-1</sup>•K<sup>-1</sup>) and superior solar-thermal conversion performance (91.8%). Additionally, the latent heat of cPCG@PEG showed a minimal decrease even after 100 melt-crystallization cycles. An experimental setup was designed to regulate the temperature of solar photovoltaic (PV) panels using cPCG@PEG. The results indicated that cPCG@PEG effectively managed the temperature of solar PV panels under varying light conditions. This study presents a novel approach for enhancing the application of porous PCMs in solar energy utilization and thermal management of equipment.</p></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":null,"pages":null},"PeriodicalIF":3.1,"publicationDate":"2024-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142075681","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":"Exploring the curing kinetics of Acrolein-Pentaerythritol resin: Impact of molecular weight and molecular weight distribution on cure behavior","authors":"","doi":"10.1016/j.tca.2024.179851","DOIUrl":"10.1016/j.tca.2024.179851","url":null,"abstract":"<div><p>Curing kinetics are crucial for designing and optimizing the process parameters of a resin. This study examines the non-isothermal curing kinetics of acrolein-pentaerythritol (APE) resins, focusing on the impact of molecular weight (MW) and molecular weight distribution (MWD) on their cure behavior. Kinetic parameters were determined using isoconversional and combined kinetic analysis methods through microcalorimeter measurements. The findings suggest that the cure process follows the nucleation and growth models (Avrami−Erofeev equation), with an activation energy of 72.2 kJ/mol. A comparison of two APE resins with different molecular weights and molecular weight distributions reveals that higher MW components expedite the initial curing reaction but impede the main curing process, leading to extended curing durations. This study provides valuable insights into the curing kinetics of APE resin and the influence of MW and MWD, contributing to the reliable and reproducible production of composite parts.</p></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":null,"pages":null},"PeriodicalIF":3.1,"publicationDate":"2024-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142006587","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":"Kinetic investigation of aschalcha heavy oil oxidation in the presence of cobalt biocatalysts during in-situ combustion","authors":"","doi":"10.1016/j.tca.2024.179854","DOIUrl":"10.1016/j.tca.2024.179854","url":null,"abstract":"<div><p>The catalytic effect of cobalt tall oil and cobalt sunflower oil catalysts on the oxidation kinetics of heavy crude oil was investigated in this study. Comprehensive kinetic analyses, employing differential scanning calorimetry, thermogravimetric analysis, and kinetic modeling techniques, revealed that the presence of these catalysts significantly influenced the oxidation behavior of heavy oil. The catalysts exhibited pronounced shifts in the DSC and TG curves towards lower temperatures, indicating facilitated initiation of oxidation reactions at lower onset temperatures. Quantitative kinetic parameters, including activation energies and frequency factors, were determined using the Friedman and Kissinger-Akahira-Sunose analyses. The cobalt tall oil catalyst demonstrated superior performance, effectively lowering the activation energy barrier and increasing oxidation rates, particularly at higher conversion degrees. Catalyst characterization techniques, including X-ray diffraction, scanning electron microscopy, and Fourier-transform infrared spectroscopy, revealed the formation of highly crystalline cobalt oxide nanoparticles with optimal dispersion and size distribution, as well as the presence of favorable functional groups for surface interactions. The results elucidated the role of these catalysts in facilitating the oxidation process through the provision of active sites, altered reaction pathways, favorable steric environments, and efficient oxygen activation capabilities. These findings contribute to the development of efficient catalytic systems for heavy oil upgrading processes and offer insights for further optimization of catalyst properties to achieve desired oxidation kinetics behavior.</p></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":null,"pages":null},"PeriodicalIF":3.1,"publicationDate":"2024-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142075680","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":"Revisiting high-energy X-ray diffraction and differential scanning calorimetry data of EN AW-6082 with mean field simulations","authors":"","doi":"10.1016/j.tca.2024.179848","DOIUrl":"10.1016/j.tca.2024.179848","url":null,"abstract":"<div><p>The present work re-evaluates previously published in-situ high-energy x-ray diffraction (HEXRD) and differential scanning calorimetry (DSC) data on EN AW-6082, which were used to study the precipitation kinetics of stable β-Mg<sub>2</sub>Si. Here, we address hitherto unattended information in the diffraction patterns. The revised analysis considers metastable precipitates and thermodynamically stable Fe-containing phases in addition to stable β-Mg<sub>2</sub>Si investigated in the previous studies. Furthermore, we utilize mean-field simulations to convert the evolution of individual phases obtained from HEXRD data into an equivalent excess specific heat <span><math><msubsup><mi>c</mi><mrow><mi>p</mi></mrow><mtext>ex</mtext></msubsup></math></span> signal. This methodology allows us to partly separate cooling and heating DSC data into the contributions of individual phases and make a quantitative comparison between results from HEXRD and DSC. This significantly improves our current understanding of DSC data and demonstrates, for instance, the difference in complexity between interpreting cooling and heating experiments in aluminum alloys.</p></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":null,"pages":null},"PeriodicalIF":3.1,"publicationDate":"2024-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0040603124001874/pdfft?md5=810ec089b15f73dde5b90b92acdff42f&pid=1-s2.0-S0040603124001874-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142048736","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Liquid and crystallized phases stability in the sub-system H3PO4H4P2O7: Experimental determination and modeling","authors":"","doi":"10.1016/j.tca.2024.179837","DOIUrl":"10.1016/j.tca.2024.179837","url":null,"abstract":"<div><p>The study of the system formed by ortho- and pyrophosphoric acid was resumed in order to understand the crystallization conditions of these two compounds and to highlight the existence of their possible polymorphism. To this end, the solid-liquid equilibria (SLE) of pyrophosphoric acid was studied in depth. Contradictions in literature data were resolved through systematic experimentation: solubility measurements, differential scanning calorimetry (DSC), and X-ray diffraction (XRD). Calorimetric measurements confirmed the existence of two crystalline forms of pyrophosphoric acid, and their stability domains were determined. Furthermore, thermodynamic modeling of the SLE has led to a consistent and refined representation of the observed phenomena. In particular, the transition temperature from low-temperature (form I) to high-temperature form (form II) of pyrophosphoric acid was determined at 298.4 K and the coordinates of the eutectic point common between H<sub>3</sub>PO<sub>4</sub> and H<sub>4</sub>P<sub>2</sub>O<sub>7</sub> (I) were precisely determined. Modeling also confirms the non-negligible quantity of triphosphoric acid in the liquid state throughout virtually the entire compositional range. Finally, X-ray powder diffraction data were used to determine the cell parameters and space group of pyrophosphoric acid using EXPO 2014 software.</p></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":null,"pages":null},"PeriodicalIF":3.1,"publicationDate":"2024-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141943275","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":"An innovative method for isothermal and non-isothermal predictions of complex reactions","authors":"","doi":"10.1016/j.tca.2024.179839","DOIUrl":"10.1016/j.tca.2024.179839","url":null,"abstract":"<div><p>In this study, we introduced a novel technique that factorizes the reaction rate of complex reactions into a temperature-dependent rate constant and a conversion function using multiple linear regression on isoconversional kinetic data. In simulated reactions, our method demonstrated higher accuracy compared to model-free approaches. Furthermore, the new method exhibited satisfactory accuracy in non-isothermal predictions of polyethylene thermal decomposition, all without necessitating the computation of Arrhenius parameters. However, the new method enables the assessment of the Arrhenius parameters, the activation energy and pre-exponential factor, in complex reactions as well. The accuracy of this method is confined to the experimentally explored temperature range, necessitating cautious extrapolation for temperatures beyond this interval.</p></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":null,"pages":null},"PeriodicalIF":3.1,"publicationDate":"2024-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141943278","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}