Thermochimica Acta最新文献

Sustainable humification of food waste slurry through thermally activated persulfate oxidation 通过热激活过硫酸盐氧化技术实现厨余泥浆的可持续腐殖化

IF 3.1 2区化学

Thermochimica Acta Pub Date : 2024-11-10 DOI: 10.1016/j.tca.2024.179898

Jun Zhang , Hanbang Wang , Qinglin Zheng , Jianhui Zhi , Lianghu Su

{"title":"Sustainable humification of food waste slurry through thermally activated persulfate oxidation","authors":"Jun Zhang , Hanbang Wang , Qinglin Zheng , Jianhui Zhi , Lianghu Su","doi":"10.1016/j.tca.2024.179898","DOIUrl":"10.1016/j.tca.2024.179898","url":null,"abstract":"<div><div>This study introduces a thermoanalytical approach utilizing sodium persulfate (PS) to expedite the humification of food waste (FW) through advanced oxidation processes (AOPs). The method harnesses heat-induced free radicals to break down complex organic compounds into simpler forms, leading to the formation of humic substances. We conducted an analysis of changes in soluble chemical oxygen demand (SCOD), dissolved organic carbon (DOC), ammonia nitrogen, soluble proteins, and sugars, employing advanced techniques such as three-dimensional fluorescence spectroscopy, Fourier transform infrared (FT-IR) spectroscopy, and scanning electron microscopy (SEM). The findings indicate that the activation of PS at 70 °C effectively increases SCOD and DOC levels, converts proteins into soluble forms, and enhances NH<sub>4</sub><sup>+</sup>-N content. This study, which focuses on the utilization of thermal methods, affirms that the thermal activation of persulfate (PS) significantly boosts the humification of food waste (FW), presenting a sustainable approach for waste management and resource recovery.</div></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":"742 ","pages":"Article 179898"},"PeriodicalIF":3.1,"publicationDate":"2024-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142658910","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

Molecular dynamics simulation of combustion reaction process and products of oxygen-containing functional groups in coal based on Machine Learning Potential 基于机器学习潜能的煤中含氧官能团燃烧反应过程及产物的分子动力学模拟

IF 3.1 2区化学

Thermochimica Acta Pub Date : 2024-11-10 DOI: 10.1016/j.tca.2024.179891

Jinzhang Jia , Yumo Wu , Dan Zhao , Fengxiao Wang , Dongming Wang , Qiang Yang , Yinghuan Xing , Shan Lu

{"title":"Molecular dynamics simulation of combustion reaction process and products of oxygen-containing functional groups in coal based on Machine Learning Potential","authors":"Jinzhang Jia , Yumo Wu , Dan Zhao , Fengxiao Wang , Dongming Wang , Qiang Yang , Yinghuan Xing , Shan Lu","doi":"10.1016/j.tca.2024.179891","DOIUrl":"10.1016/j.tca.2024.179891","url":null,"abstract":"<div><div>Oxygen-containing functional groups are the main heat source of coal spontaneous combustion, but their complex reaction pathways and microscopic mechanisms are still unclear. In this study, the molecular dynamics simulation of the composite combustion reaction model system with four oxygen-containing functional groups was conducted using the Machine Learning (ML) potential force field. The results showed that the stability order of these four oxygen-containing functional groups in the combustion reaction system is as follows: ‒OH < ‒COOH < ‒C‒O < ‒C = O. These simulation findings align with those obtained from in-situ FTIR experiments, thereby validating the accuracy of the ML potential force field. Notably, ‒C‒O exhibits the highest tendency for CO<sub>2</sub> conversion (58.57 %); ‒COOH displays the highest tendency for H<sub>2</sub>O conversion (45.00 %); and ‒OH demonstrates the highest tendency for CO conversion (59.17 %). The essence of the oxidative combustion reaction pathway involving oxygen-containing functional groups lies in the heat accumulation resulting from the oxidative dehydrogenation effect.</div></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":"742 ","pages":"Article 179891"},"PeriodicalIF":3.1,"publicationDate":"2024-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142658918","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

Pyrolysis of industrial hemp biomass from contaminated soil phytoremediation: Kinetics, modelling transport phenomena and biochar-based metal reduction 受污染土壤植物修复中工业大麻生物质的热解：动力学、模拟迁移现象和基于生物炭的金属还原

IF 3.1 2区化学

Thermochimica Acta Pub Date : 2024-11-09 DOI: 10.1016/j.tca.2024.179899

Jure Voglar , Anže Prašnikar , Konstantin Moser , Elisa Carlon , Manuel Schwabl , Blaž Likozar

{"title":"Pyrolysis of industrial hemp biomass from contaminated soil phytoremediation: Kinetics, modelling transport phenomena and biochar-based metal reduction","authors":"Jure Voglar , Anže Prašnikar , Konstantin Moser , Elisa Carlon , Manuel Schwabl , Blaž Likozar","doi":"10.1016/j.tca.2024.179899","DOIUrl":"10.1016/j.tca.2024.179899","url":null,"abstract":"<div><div>Phytoremediation is the use of vegetation for the <em>in situ</em> treatment of contaminated environments. After plants have been used for phytoremediation of soils, their biomass can be used for example as value-added products or converted by thermochemical processes. Large-scale application of pyrolysis technology for phytoremediation biomass requires accurate predictive kinetic models and a characterization of the toxicity of the materials produced. The pyrolysis of industrial hemp (<em>Cannabis sativa</em> L.) was investigated on a laboratory scale by varying the process conditions and accurately modelled by considering four pseudo-components with first reaction order. The average value of the coefficients of determination is 0.9980. Biomass and biochar were characterized and the main components of the gas phase were monitored. We found Cd, Pb, and Zn in the roots, although in lower amounts than in the soil. Especially the leaves and stems showed negligible traces of these elements, so that these parts can be used directly, even if the hemp was grown on the polluted soil. After pyrolysis, the concentration of pollutants in the solid fraction decreased, which could be attributed to the reduction of metal oxides (or salts) to elemental form and subsequent evaporation. This pyrolysis process has the potential to treat heavy metal-rich biomass, with gas phase purification via condensation, yielding agricultural-grade biochar, CO-rich gas and a highly concentrated heavy metal stream in absorbent material.</div></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":"742 ","pages":"Article 179899"},"PeriodicalIF":3.1,"publicationDate":"2024-11-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142658911","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

Effects of Cu(OH)F nanoparticles on the thermal oxidation and ignition characteristics of micron-sized Al powder 纳米 Cu(OH)F 粒子对微米级铝粉热氧化和点火特性的影响

IF 3.1 2区化学

Thermochimica Acta Pub Date : 2024-11-08 DOI: 10.1016/j.tca.2024.179896

Jiaming Liu , Xinwen Ma , Wenhao Wang , Weiduo Fei , Xiandie Zhang , Xiang Ke , Xiang Zhou

引用次数: 0

Non-isothermal kinetic analysis of phase transformations in Fe-Co-V-Mo semi-hard magnetic alloy Fe-Co-V-Mo半硬磁性合金相变的非等温动力学分析

IF 3.1 2区化学

Thermochimica Acta Pub Date : 2024-11-06 DOI: 10.1016/j.tca.2024.179897

Maryam Kamali-Ardakani , Alireza Mashreghi , Saeed Hasani , Saeed Sadeghpour

{"title":"Non-isothermal kinetic analysis of phase transformations in Fe-Co-V-Mo semi-hard magnetic alloy","authors":"Maryam Kamali-Ardakani , Alireza Mashreghi , Saeed Hasani , Saeed Sadeghpour","doi":"10.1016/j.tca.2024.179897","DOIUrl":"10.1016/j.tca.2024.179897","url":null,"abstract":"<div><div>In this study, the non-isothermal kinetics and phase transformations within the Fe-Co-V-Mo alloy were investigated. Four distinct transformations were identified: disorder → order (T<sub>1</sub>), first-stage polymorphic (T<sub>2</sub>), order → disorder (T<sub>3</sub>), and second-stage polymorphic (T<sub>4</sub>). The activation energy (<em>E</em>) for each transformation was determined using isoconversional methods. Fitting model were employed to calculate the kinetic triplets, confirming that all transformations follow the Avrami model. The Johnson-Mehl-Avrami (JMA) and Šesták-Berggren (SB) models were used to determine other kinetic parameters (<em>n, M</em>, and <em>N</em>). The findings suggest that the growth mechanisms for transformations T<sub>3</sub> and T<sub>4</sub> are interface-controlled, whereas transformation T<sub>2</sub> is diffusion-controlled. Consequently, the A3/2 and A3 mechanisms were identified as predominant mechanisms for transformations T<sub>2</sub> and T<sub>4</sub>, respectively. Additionally, transformation T<sub>3</sub> follows the A3 mechanism at heating rates of 10 and 20 K/min, and the A2 mechanism at 30 K/min. Kinetic analysis revealed that the addition of Mo in Fe-Co-V alloys, acting as a ferrite (<em>α</em>) stabilizer, decreases the onset temperatures of transformations T<sub>1</sub> and T<sub>3</sub>. Conversely, it increases those of transformations T<sub>2</sub> and T<sub>4</sub>. Furthermore, Mo influences the reduction of <em>E</em> associated with transformation T<sub>3</sub>.</div></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":"742 ","pages":"Article 179897"},"PeriodicalIF":3.1,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142658909","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

Study of the hydrothermal stability of leather tanned with vegetable extracts using an isometric method 用等距法研究用植物提取物鞣制的皮革的水热稳定性

IF 3.1 2区化学

Thermochimica Acta Pub Date : 2024-11-02 DOI: 10.1016/j.tca.2024.179893

Josep Maria Morera , Esther Bartolí , Bernat Esteban

引用次数: 0

Investigation on the effect of carbon powder structural characteristics derived from ethylene decomposition on powder explosion 乙烯分解产生的碳粉结构特征对粉末爆炸影响的研究

IF 3.1 2区化学

Thermochimica Acta Pub Date : 2024-11-02 DOI: 10.1016/j.tca.2024.179895

Yao Chen , Zhichen Zhang , Yunfeng Zhu , Yahui Li , Shoutao Ma , Haowen Chen , Jie Jiang , Bing Sun , Wei Xu

{"title":"Investigation on the effect of carbon powder structural characteristics derived from ethylene decomposition on powder explosion","authors":"Yao Chen , Zhichen Zhang , Yunfeng Zhu , Yahui Li , Shoutao Ma , Haowen Chen , Jie Jiang , Bing Sun , Wei Xu","doi":"10.1016/j.tca.2024.179895","DOIUrl":"10.1016/j.tca.2024.179895","url":null,"abstract":"<div><div>In LDPE production, ethylene underwent polymerization under high temperature and pressure. However, the heat generated during polymerization could cause ethylene pyrolysis, leading to safety risks. More critically, the carbon powder produced could further decompose, posing additional hazards. This study examined the pyrolysis characteristics of high-pressure, high-temperature ethylene and the explosive behavior of the resulting carbon powder. The decomposition of ethylene was carried out under 80–200 °C and 80–200 MPa with the oxygen concentration of 1000–5000 ppm using ethylene explosive device, and the explosive testing of derived carbon powder was carried out in a 20 L sphere chamber under the powder concentration of 200 g/m<sup>3</sup>. It was found that higher initial ignition pressure, temperature, and oxygen concentration intensified ethylene pyrolysis. The size of resulting carbon powder ranged from 0.5 to 500 μm and fewer structural defects, leading to stronger explosive intensity due to a larger specific surface area and longer suspension time in the air. Conversely, carbon powder with larger particle sizes and more defects tended to agglomerate, reducing suspension time and explosion intensity. This research provided a theoretical foundation for understanding powder explosions caused by ethylene decomposition.</div></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":"742 ","pages":"Article 179895"},"PeriodicalIF":3.1,"publicationDate":"2024-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142586441","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

Characterization of thermal behavior of two types of kaolin in China by ultrafast Joule heating combined with XRD, FT-IR, TG-DSC and SEM 利用超快焦耳加热结合 XRD、FT-IR、TG-DSC 和 SEM 对中国两种高岭土的热行为进行表征

IF 3.1 2区化学

Thermochimica Acta Pub Date : 2024-11-02 DOI: 10.1016/j.tca.2024.179894

Jiahang Fan, Xianjie Liu, Mingyong Liu, Mengyao Yang, Yuena Jiang, Ruiyu Mi, Xin Min, Zhaohui Huang

引用次数: 0

Extending the Transient Plane Source Scanning method for determining the specific heat capacity of low thermal conductivity materials through a numerical study 通过数值研究扩展用于确定低导热材料比热容的瞬态平面源扫描方法

IF 3.1 2区化学

Thermochimica Acta Pub Date : 2024-10-28 DOI: 10.1016/j.tca.2024.179883

Zijin Zeng , Christian Müller , Besira Mihiretie

{"title":"Extending the Transient Plane Source Scanning method for determining the specific heat capacity of low thermal conductivity materials through a numerical study","authors":"Zijin Zeng , Christian Müller , Besira Mihiretie","doi":"10.1016/j.tca.2024.179883","DOIUrl":"10.1016/j.tca.2024.179883","url":null,"abstract":"<div><div>In contrast to the conventional Transient Plane Source (TPS) method, the Transient Plane Source Scanning (TPSS) technique allows for the direct determination of the specific heat capacity and requires the use of a specially designed sample holder for accurate measurements. While this method correctly determines the specific heat capacity of samples with moderate and high thermal conductivity, it tends to underestimate the values for those with low thermal conductivity. This paper demonstrates that the underestimated specific heat capacity results from heat loss during the measurement process. To precisely quantify the heat loss, a numerical model based on the finite element method was developed, with key material properties tuned based on measurement data. This model can closely describe the curve of measured thermal response, thereby enabling the precise determination of the specific heat capacity. Consequently, this study introduces a novel approach that incorporates numerical simulation to enhance TPSS measurements of poorly conducting samples, providing a reliable alternative for determining the specific heat capacity.</div></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":"742 ","pages":"Article 179883"},"PeriodicalIF":3.1,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142593865","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

Determination of the apparent activation energy surface from isothermal data of char combustion and gasification 根据炭燃烧和气化的等温数据确定表观活化能面

IF 3.1 2区化学

Thermochimica Acta Pub Date : 2024-10-26 DOI: 10.1016/j.tca.2024.179892

Yongmyong Ri , Tokhui Ri , Hochol Rim , Hyonung Rim , Juhyon Yu , Yongho Kim , Jinhyok Ri

引用次数: 0