Thermochimica Acta最新文献

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Valorization of a high-sulfur petroleum coke for energy and fuels through its co-processing with a forest waste, using concrete wastes for sulphur and carbon dioxide capture under mild conditions 在温和条件下利用混凝土废料捕获硫和二氧化碳,通过将高硫石油焦与森林废料共处理,实现高硫石油焦的能源和燃料价值化
IF 3.1 2区 化学
Thermochimica Acta Pub Date : 2024-07-02 DOI: 10.1016/j.tca.2024.179811
D. Vamvuka, K. Zacheila
{"title":"Valorization of a high-sulfur petroleum coke for energy and fuels through its co-processing with a forest waste, using concrete wastes for sulphur and carbon dioxide capture under mild conditions","authors":"D. Vamvuka,&nbsp;K. Zacheila","doi":"10.1016/j.tca.2024.179811","DOIUrl":"https://doi.org/10.1016/j.tca.2024.179811","url":null,"abstract":"<div><p>Current work provided a comprehensive assessment on the pyrolysis, combustion and gasification of a high-sulfur pet coke (PEC) and its blends with a forest waste (FOP). The potential of waste concrete fractions to capture SO<sub>2</sub> and CO<sub>2</sub> emissions was explored. The experiments were conducted in a fixed bed system and a thermogravimetric-mass spectrometric unit. Thermal behavior, reactivity, conversion, synergy, structural and chemical characteristics of solid materials, quantitative analysis of products and heating value, chemical, mineralogical and fusibility analysis of ashes were studied as a function of temperature, blending ratio and sorbent/fuel ratio. Addition of sorbent at a ratio Ca/<em>S</em> = 2 resulted in a desulfurization extent of 76–81 % during combustion. Quarry dust sorbent captured up to 95.4 % of CO<sub>2</sub> emitted below 700 °C. At 1000 °C H<sub>2</sub> content was 64.8–72.9 % mol and syngas yield 1.1–1.8 m<sup>3</sup>/kg. The gasification performance of PEC was improved upon blending with FOP.</p></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":null,"pages":null},"PeriodicalIF":3.1,"publicationDate":"2024-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141541793","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}
引用次数: 0
Supertoughened biodegradable poly(L-lactic acid) by multiphase blends system: Crystallization, rheological and mechanical properties 多相共混体系超增韧可生物降解聚(L-乳酸):结晶、流变和机械性能
IF 3.1 2区 化学
Thermochimica Acta Pub Date : 2024-07-02 DOI: 10.1016/j.tca.2024.179810
Yujie Jin , Jing Guo , Hongda Cheng , Yi Li , Changyu Han
{"title":"Supertoughened biodegradable poly(L-lactic acid) by multiphase blends system: Crystallization, rheological and mechanical properties","authors":"Yujie Jin ,&nbsp;Jing Guo ,&nbsp;Hongda Cheng ,&nbsp;Yi Li ,&nbsp;Changyu Han","doi":"10.1016/j.tca.2024.179810","DOIUrl":"https://doi.org/10.1016/j.tca.2024.179810","url":null,"abstract":"<div><p>To toughen brittle poly(L-lactic acid) (PLA), poly(3-hydroxybutyrate-<em>co</em>-3-hydroxyhexanoate) (PHBH) and poly(vinyl acetate) (PVAc) were introduced into PLA matrix to prepared PLA/PHBH/PVAc ternary blends. PVAc was electively located in PLA matrix and refined phase morphology owing to better miscibility of PVAc with PLA than with PHBH. Increase in PVAc content decreased the crystallization rate and the crystallinity of PLA due to the dilution effect. More importantly, prominent enhancement of flexibility and toughness of PLA was obtained by the addition of PHBH and PVAc. Elongation at the break and impact strength of ternary blend with 10 wt% PVAc were 277 % and 326 % higher than that of neat PLA. Melt viscoelasticity of PLA was improved by incorporation of PHBH and PVAc. The combination of increased toughness and high melt viscoelasticity established in PLA biodegradable blends represent properties required in a wider range of applications.</p></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":null,"pages":null},"PeriodicalIF":3.1,"publicationDate":"2024-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141541795","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}
引用次数: 0
Photopyroelectric Techniques for Thermal Diffusivity and Optical Absorption Coefficient Measurements of SiO2 Colloids 用于测量二氧化硅胶体热扩散率和光学吸收系数的光电技术
IF 3.1 2区 化学
Thermochimica Acta Pub Date : 2024-06-28 DOI: 10.1016/j.tca.2024.179806
C. Proa-Coronado, J.A. Balderas-López, Y. Sánchez-Fuentes, L.A. Linares-Duarte, E. Hernández-Sánchez
{"title":"Photopyroelectric Techniques for Thermal Diffusivity and Optical Absorption Coefficient Measurements of SiO2 Colloids","authors":"C. Proa-Coronado,&nbsp;J.A. Balderas-López,&nbsp;Y. Sánchez-Fuentes,&nbsp;L.A. Linares-Duarte,&nbsp;E. Hernández-Sánchez","doi":"10.1016/j.tca.2024.179806","DOIUrl":"https://doi.org/10.1016/j.tca.2024.179806","url":null,"abstract":"<div><p>In this work Photopyroelectric Techniques for thermal and optical characterization are introduced for measuring thermal diffusivity and optical absorption coefficient of colloidal suspensions of SiO<sub>2</sub>. Thermal diffusivity and Optical absorption coefficients at 904 nm, 940 nm, 980 nm and 1550 nm were measured for spherical SiO<sub>2</sub> colloidal suspensions of 61 and 673 nm average size, in a range of 1 mg/mL to 26 mg/mL. It was found a linear increment of this optical property with SiO<sub>2</sub> nano-spheres concentration, which was not possible to obtain by means of absorbance measurements with conventional UV-Vis spectroscopy; in relation with thermal diffusivity it was found a slightly increment of this thermal property with increasing concentration, however this increment was not as large as the one reported for similar samples but using experimental techniques involving the optical properties of the samples. The direct measurement of optical absorption coefficients of colloidal suspensions allowed the knowledge of their absorptivity at the selected wavelengths. The presented methodology could be useful for measuring this optical property for colloidal suspensions in general at other wavelengths and as a function of other variables of interest, such as size particle.</p></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":null,"pages":null},"PeriodicalIF":3.1,"publicationDate":"2024-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141596897","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}
引用次数: 0
Microcalorimetric study of the bactericidal action of titanium tetrachloride on the Pseudomonas aeruginosa growth. Potential implications in orthopaedic surgery 四氯化钛对铜绿假单胞菌生长的杀菌作用的微量热研究。对骨科手术的潜在影响
IF 3.1 2区 化学
Thermochimica Acta Pub Date : 2024-06-27 DOI: 10.1016/j.tca.2024.179807
Ricardo Aveledo , Natividad Lago , Marta M. Mato , José L. Legido
{"title":"Microcalorimetric study of the bactericidal action of titanium tetrachloride on the Pseudomonas aeruginosa growth. Potential implications in orthopaedic surgery","authors":"Ricardo Aveledo ,&nbsp;Natividad Lago ,&nbsp;Marta M. Mato ,&nbsp;José L. Legido","doi":"10.1016/j.tca.2024.179807","DOIUrl":"https://doi.org/10.1016/j.tca.2024.179807","url":null,"abstract":"<div><p>With the rising use of metallic implants worldwide, bacterial infection has become a major concern due to its significant impact on patient health and national healthcare budgets. This study aimed to evaluate the sensitivity of <em>Pseudomonas aeruginosa</em>, a common bacterium responsible for implant surgery infections, to different concentrations of titanium tetrachloride (TiCl<sub>4</sub>) solutions. Microcalorimetry was used to analyze the heat output produced by bacteria metabolism when exposed to TiCl<sub>4</sub> at concentrations ranging from 0 to 10 mM, as well as a saturated solution. The inner chamber of the calorimeter was set to the physiological temperature of the human body (309.65 K), and the heat output produced by bacteria metabolism was collected at intervals of 22.2 s for 48 h using a data acquisition and processing system. The data was then represented as thermograms. The results showed that higher concentrations of TiCl<sub>4</sub> had a bactericidal effect on the growth of <em>Pseudomonas aeruginosa</em>. This study supports the potential use of higher concentrations of this compound in surgical implants to reduce the risk of infection development due to its bactericidal properties.</p></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":null,"pages":null},"PeriodicalIF":3.1,"publicationDate":"2024-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0040603124001461/pdfft?md5=e7abee9fb7f174ac361e12fb3464e152&pid=1-s2.0-S0040603124001461-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141540313","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}
引用次数: 0
Manipulation of non-isothermal crystallization kinetics of poly(lactic acid) composite film by a novel nucleating agent 新型成核剂操纵聚(乳酸)复合薄膜的非等温结晶动力学
IF 3.1 2区 化学
Thermochimica Acta Pub Date : 2024-06-27 DOI: 10.1016/j.tca.2024.179808
Xintu Lin , Ruijie Jin , Yidan Ouyang , Zehong Chen , Ruilan Xu , Yincai Wu , Xin Dai , Yong Peng , Yuejun Liu
{"title":"Manipulation of non-isothermal crystallization kinetics of poly(lactic acid) composite film by a novel nucleating agent","authors":"Xintu Lin ,&nbsp;Ruijie Jin ,&nbsp;Yidan Ouyang ,&nbsp;Zehong Chen ,&nbsp;Ruilan Xu ,&nbsp;Yincai Wu ,&nbsp;Xin Dai ,&nbsp;Yong Peng ,&nbsp;Yuejun Liu","doi":"10.1016/j.tca.2024.179808","DOIUrl":"https://doi.org/10.1016/j.tca.2024.179808","url":null,"abstract":"<div><p>As a type of renewable and biodegradable polymer, poly(lactic acid) (PLA) has been widely used in various fields. However, its weak crystallization ability deteriorates the properties of the final product. In this work, a novel nucleating agent (MWCNTs@CeO<sub>2</sub>), multi-walled carbon nanotubes (MWCNTs) decorated with ceria (CeO<sub>2</sub>), was synthesized using the hydrothermal method and subsequently used to manipulate the non-isothermal crystallization kinetics and nucleation behavior of PLA. The results show that MWCNTs@CeO<sub>2</sub> can act as an effective nucleating agent to accelerate the crystallization rate of PLA by reducing the half-crystallization time. In non-isothermal crystallization kinetics, the Avrami equation modified by Jeziorny cannot accurately describe the non-isothermal crystallization behavior of PLA and PLA/MWCNTs@CeO<sub>2</sub> composite films, whereas the Mo method can. Furthermore, it is found that the addition of MWCNTs@CeO<sub>2</sub> does not change the crystal structure of PLA, but increases the nucleation and growth rate of PLA, thereby promoting its crystallization.</p></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":null,"pages":null},"PeriodicalIF":3.1,"publicationDate":"2024-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141596896","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}
引用次数: 0
Heat capacities and role of defects in ion transfer of quinuclidinium hexafluorophosphate plastic crystal 六氟磷酸奎宁酸塑料晶体的热容量和缺陷在离子转移中的作用
IF 3.1 2区 化学
Thermochimica Acta Pub Date : 2024-06-21 DOI: 10.1016/j.tca.2024.179804
Xue Lan , Yu Li , Xianmin Zhang , Wei Xu , Hao Chen , Jiandang Liu , Hongjun Zhang , Xiaozheng Lan
{"title":"Heat capacities and role of defects in ion transfer of quinuclidinium hexafluorophosphate plastic crystal","authors":"Xue Lan ,&nbsp;Yu Li ,&nbsp;Xianmin Zhang ,&nbsp;Wei Xu ,&nbsp;Hao Chen ,&nbsp;Jiandang Liu ,&nbsp;Hongjun Zhang ,&nbsp;Xiaozheng Lan","doi":"10.1016/j.tca.2024.179804","DOIUrl":"https://doi.org/10.1016/j.tca.2024.179804","url":null,"abstract":"<div><p>To study the phase behavior and role of defects in the ion conduction of a well-investigated plastic crystal electrolyte, we measured the low-temperature heat capacities of quinuclidinium hexafluorophosphate ([HQ]PF<sub>6</sub>) plastic crystal and the defects of pure [HQ]PF<sub>6</sub> and its mixtures containing lithium ions and chloride ions. The heat capacities of the pure material show two solid‒solid phase transitions at room temperature and a low temperature. Positron annihilation lifetime spectroscopy (PALS) revealed the phase dependence of the defect size for both the pure material and the mixtures. The defects in these two mixtures expand largely to approximately 2 (with Li<sup>+</sup>) and 2.5 (with Cl<sup>−</sup>) times larger than those in the pure material. The relationships between the ionic conductivity and vacancy volume of the pure material and the mixtures obey the Cohen−Turnbull free volume model, which is also phase dependent. This work help elucidate defect-assisted ion transfer in organic ionic plastic crystals.</p></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":null,"pages":null},"PeriodicalIF":3.1,"publicationDate":"2024-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141481576","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}
引用次数: 0
Liquid crystalline polyurethane/POSS hybrid nanocomposites pyrolysis studies by Py-GC/MS and TG/FTIR techniques 利用 Py-GC/MS 和 TG/FTIR 技术进行液晶聚氨酯/POSS 混合纳米复合材料热解研究
IF 3.1 2区 化学
Thermochimica Acta Pub Date : 2024-06-20 DOI: 10.1016/j.tca.2024.179803
Artur Bukowczan, Paulina Zając, Krzysztof Pielichowski
{"title":"Liquid crystalline polyurethane/POSS hybrid nanocomposites pyrolysis studies by Py-GC/MS and TG/FTIR techniques","authors":"Artur Bukowczan,&nbsp;Paulina Zając,&nbsp;Krzysztof Pielichowski","doi":"10.1016/j.tca.2024.179803","DOIUrl":"https://doi.org/10.1016/j.tca.2024.179803","url":null,"abstract":"<div><p>The process of pyrolysis of liquid crystalline polyurethane (LCPU) composites with polyhedral oligomeric silsesquioxanes (POSS) has been studied using pyrolysis - gas chromatography/mass spectrometry (Py-GC/MS) and thermogravimetry/Fourier transform infrared spectroscopy (TG/FTIR) coupled thermoanalytical techniques. LCPU elastomers modified with POSS molecules with different architectures, bearing aromatic, isobutyl and cycloaliphatic moieties, yield various volatile products of pyrolysis that were collected and characterized. The TG study showed significant differences in the thermal behavior of composites studied, evidencing the influence of the silsesquioxane type on the polyurethane pyrolysis paths. FTIR study of volatile products of thermal decomposition showed the presence of characteristic bands originated from carbonyl, amine, ether, methylene, and unsaturated hydrocarbon linkages. GC/MS investigation confirmed the existence of compounds identified by the IR method. The application of both thermoanalytical methods made it possible to postulate the thermal decomposition routes of PU/POSS hybrids and to point out the main factors responsible for changes in the thermal stability.</p></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":null,"pages":null},"PeriodicalIF":3.1,"publicationDate":"2024-06-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141444463","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}
引用次数: 0
Recrystallization and grain growth activation energies in a hybrid magnesium material fabricated by high-pressure torsion 高压扭转法制造的混合镁材料中的再结晶和晶粒生长活化能
IF 3.1 2区 化学
Thermochimica Acta Pub Date : 2024-06-19 DOI: 10.1016/j.tca.2024.179805
Hiba Azzeddine , Marie-Noëlle Avettand-Fènoël , Piotr Bazarnik , Thierry Baudin , Yi Huang , Terence G. Langdon
{"title":"Recrystallization and grain growth activation energies in a hybrid magnesium material fabricated by high-pressure torsion","authors":"Hiba Azzeddine ,&nbsp;Marie-Noëlle Avettand-Fènoël ,&nbsp;Piotr Bazarnik ,&nbsp;Thierry Baudin ,&nbsp;Yi Huang ,&nbsp;Terence G. Langdon","doi":"10.1016/j.tca.2024.179805","DOIUrl":"https://doi.org/10.1016/j.tca.2024.179805","url":null,"abstract":"<div><p>The recrystallization and grain growth activation energies of the hybrid AZ31/Mg-0.6Gd (wt.%) alloy were calculated using differential scanning calorimetry analyses and scanning electron microscopy, respectively, after fabricating by high-pressure torsion up to 20 turns and then subjecting to an isochronal annealing treatment from 423 to 723 K for 1 h. The DSC results show one exothermic peak belonging to the static recrystallization of the AZ31 region with an activation energy of 112 ± 10 kJ/mol. The grain growth kinetics for the AZ31 and Mg-0.6Gd regions were described by the Arrhenius equation. The calculation with a grain growth exponent equal to 4 gave values for the activation energies in both the AZ31 (146.2 ± 8.4 kJ/mol) and Mg-0.6Gd (90.9 ± 13.5 kJ/mol) regions. The present results reveal the heterogeneity of the thermal stability of the AZ31/Mg-0.6Gd hybrid material.</p></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":null,"pages":null},"PeriodicalIF":3.1,"publicationDate":"2024-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141437997","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}
引用次数: 0
Thermogravimetric analysis on two Bambusa texlitis wastes slow pyrolysis behaviors and kinetics using isoconversional and parallel-reactions models 利用等转化和平行反应模型对两种簕杜鹃废物的缓慢热解行为和动力学进行热重分析
IF 3.5 2区 化学
Thermochimica Acta Pub Date : 2024-06-17 DOI: 10.1016/j.tca.2024.179802
Xuebai Guo , Cuixia Liu
{"title":"Thermogravimetric analysis on two Bambusa texlitis wastes slow pyrolysis behaviors and kinetics using isoconversional and parallel-reactions models","authors":"Xuebai Guo ,&nbsp;Cuixia Liu","doi":"10.1016/j.tca.2024.179802","DOIUrl":"https://doi.org/10.1016/j.tca.2024.179802","url":null,"abstract":"<div><p>In this work, the pyrolysis behaviors and kinetics of two bamboo (<em>Bambusa texlitis</em>) wastes were investigated via thermogravimetric analysis. The weight loss behaviors of pyrolysis were studied by curvature of the conversion (α) curves. The curvature of α can depict the characteristic temperatures of pseudo component (hemicellulose, cellulose and lignin) pyrolysis. Model-free model was applied to estimate the apparent activation energies of the pure components for comparison with other kinetic models. Three parallel reaction (TPR) and parallel finite number first-order reaction (FNFOR) models were used for kinetic studies. The first-order TPR model underestimates the apparent activation energies of pseudo components. The <em>n</em>th-order TPR model underestimates the apparent activation energy of lignin and obtains characteristic temperatures that are inconsistent with those of pure lignin. The parallel FNFOR model is more reliable for simulating the kinetics of lignocellulosic biomass pyrolysis. The apparent activation energies of pseudo components depend on the variety of lignocellulosic biomass.</p></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":null,"pages":null},"PeriodicalIF":3.5,"publicationDate":"2024-06-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141429185","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}
引用次数: 0
Thermal decomposition of active pharmaceutical substances and accuracy of the related kinetic predictions: The case of nifedipine 活性药物的热分解及相关动力学预测的准确性:以硝苯地平为例
IF 3.5 2区 化学
Thermochimica Acta Pub Date : 2024-06-09 DOI: 10.1016/j.tca.2024.179790
Roman Svoboda
{"title":"Thermal decomposition of active pharmaceutical substances and accuracy of the related kinetic predictions: The case of nifedipine","authors":"Roman Svoboda","doi":"10.1016/j.tca.2024.179790","DOIUrl":"https://doi.org/10.1016/j.tca.2024.179790","url":null,"abstract":"<div><p>Non-isothermal thermogravimetry was used to study the thermal decomposition of the nifedipine drug. The dominant process of thermal molecular degradation (as confirmed by Raman spectroscopy) starts very slowly at ∼ 150 °C, which is below the melting point of T<sub>m</sub> ≈ 170 °C. The decomposition kinetics was described in terms of the autocatalytic Šesták-Berggren kinetics; a novel approach denoted as single-curve multivariate kinetic analysis (sc-MKA) was used to determine the following set of parameters: activation energy of decomposition E<sub>d</sub> = 115.5 ± 2.4 kJ mol<sup>-1</sup>, decomposition pre-exponential factor log(A<sub>d</sub>/s<sup>-1</sup>) ≈ 8.5–8.9, Šesták-Berggren kinetic exponents M ≈ 0–0.2 and N ≈ 0.3–0.5. The consequent kinetic predictions based on these results have confirmed the good thermal stability of nifedipine, which allows for the melt-quenching preparation of the amorphous phase as well as for the processing via hot melt extrusion and 3D printing. An in-depth analysis of the relevant performance of the sc-MKA approach was done based on the akin literature data for indomethacin, nimesulide, and griseofulvin. The comparison has revealed more than sufficient performance of the sc-MKA method with regard to its application to the thermal decomposition data of active pharmaceutical substances. The most critical aspect of the sc-MKA procedure was demonstrated to be the accurate determination of the model-free parameters (activation energy E<sub>d</sub> and pre-exponential factor A<sub>d</sub>) and their temperature trends. Considering the specificity of the sc-MKA method, i.e., the fixed value of E<sub>d</sub>(T), the determination of the temperature dependence of A<sub>d</sub>(T) is of utmost importance and worth extensive repeatability checks.</p></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":null,"pages":null},"PeriodicalIF":3.5,"publicationDate":"2024-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141312972","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}
引用次数: 0
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