Article
Thermodynamics
E. A. Kammar, E. A. M. Gad, M. A. Mousa
Summary: NixCo1-xFe2O4 spinel nanoparticles were prepared using different methods and showed catalytic activity in the thermal decomposition of ammonium perchlorate, with NiCoF-gl exhibiting the highest catalytic activity. The addition of nanosized ferrites decreased the decomposition temperatures of AP.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2022)
Article
Engineering, Environmental
Kesiany M. de Souza, Marcelo J. S. de Lemos, Roberta dos R. Ribeiro, Ana Maria G. Marin
Summary: The transition to a carbon-free economy has led to the development of innovative technologies for permanent P&A of mature oil wells, such as the use of thermites in Thermal P&A technology. This study presents a comprehensive kinetic analysis of the Fe2O3-2Al thermite reaction using DSC data. Multiple kinetic methods were employed to calculate the activation energies for each reaction stage, revealing significant variations with the extent of conversion. Different models were used to describe the reaction stages, with the first stage following a contracting sphere mechanism and the second stage following a random nucleation mechanism. The modeled data showed good agreement with the experimental data for the first stage, but larger deviations were observed for the second stage.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Energy & Fuels
Sergey Vyazovkin, Nikita Muravyev
Summary: Many publications in Biomass Conversion and Biorefinery have recently addressed the use of single heating rate methods in pyrolysis data analysis, highlighting their limitations in determining reliable kinetic parameters. The reasons and examples of the failure are briefly discussed and emphasized. The International Confederation for Thermal Analysis and Calorimetry recommends the use of methods employing multiple heating rates for accurate kinetic analyses.
BIOMASS CONVERSION AND BIOREFINERY
(2023)
Article
Thermodynamics
Laipeng Luo, Zhiyi Zhang, Chong Li, Nishu, Fang He, Xingguang Zhang, Junmeng Cai
Summary: In analyzing kinetic reactions of solid-state reactions like lignocellulosic biomass pyrolysis, the accuracy of determining the kinetic mechanism function using the master plots method depends strongly on the variation degree of the frequency factor with conversion and the conversion dependency of activation energy. Failure to consider these factors when utilizing the master plots method may lead to misestimating the kinetic mechanism function.
Article
Chemistry, Multidisciplinary
Yixiao Wang, Jin Qian, Zongtang Fang, M. Ross Kunz, Gregory Yablonsky, Alessandro Fortunelli, William A. Goddard, Rebecca R. Fushimi
Summary: This study presents a combined experimental and theoretical approach to studying heterogeneous gas/solid catalytic processes, using low-pressure pulse response experiments and quantum mechanics-based computational analysis to reconstruct the role of different surface reaction steps. The method is demonstrated on model catalysts for ammonia synthesis/decomposition, showing how the approach to equilibrium and competitive reactions are controlled to observe the influence of steps leading to nitrogen formation. Conclusions derived from monometallic materials are then used to interpret experimental results on a more complex and active CoFe bimetallic catalyst.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Polymer Science
Nasrollah Hamidi
Summary: PVC tubing products have replaced cast iron sewer and piping systems, metal and wood in window frames. The availability of disposed or postconsumer PVC allows for upcycling, recycling, and downcycling, creating economic opportunities and reducing environmental burden. This study examines the thermal characteristics of a film made of wPVC and evaluates the isoconversional degradation energy barrier values using kinetic models.
JOURNAL OF APPLIED POLYMER SCIENCE
(2023)
Article
Chemistry, Applied
Sergey Vyazovkin
Summary: This note highlights the issue of using single heating rate kinetics for thermal decomposition of organometallic compounds. It emphasizes that this approach leads to erroneous results and goes against the recommendations of the International Confederation for Thermal Analysis and Calorimetry. The paper advocates for the adoption of multiple heating rate approach and provides examples of its failure.
APPLIED ORGANOMETALLIC CHEMISTRY
(2023)
Article
Green & Sustainable Science & Technology
Zhiyi Zhang, Yingkai Li, Laipeng Luo, Dominic Yellezuome, Md Maksudur Rahman, Jianfeng Zou, Hangli Hu, Junmeng Cai
Summary: The study systematically investigates the applicability and accuracy of kinetic and thermodynamic methods in biomass pyrolysis processes. The Friedman method provides accurate activation energies, while the KAS and FWO isoconversional methods lead to systematic errors. The conventional method for determining thermodynamic parameters is based on the conversion rate peak temperature, which has no theoretical basis.
Article
Computer Science, Interdisciplinary Applications
Shiyu Sun, Yangmin Ren, Fengshi Guo, Yongyue Zhou, Mingcan Cui, Junjun Ma, Zhengchang Han, Jeehyeong Khim
Summary: This study investigates the degradation of bisphenol A (BPA) using 35 kHz ultrasound (US) activated by four different oxidants. The results show that increasing the initial concentration of oxidants enhances the degradation rate of BPA. The study also examines the influence of pH and temperature on the efficiency of the degradation process.
COMPUTER PHYSICS COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Huan Peng, Jian Guan, Qilong Yan, Xiaolong Fu, Tao Huang, Rufang Peng, Bo Jin
Summary: This paper investigates the thermal decomposition of aluminum trihydride and calculates its kinetic parameters. The decomposition process is divided into three stages, and it takes 224.7 days for aluminum trihydride (purity >99%) to reach 0.1% decomposition depth at room temperature in a vacuum environment.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Analytical
Hang Yao, Lei Ni, Peihong Wu, Juncheng Jiang, Yuqing Ni, Xinyu Yao
Summary: The pyrolysis characteristics of tetrazolo [1,5-a] pyridine were investigated using TG and DSC, determining the decomposition pattern and thermal safety parameters. Adiabatic conditions were studied using ARC, while TG-MS and DFT analyzed the decomposition pathways. The findings can aid in determining safety precautions for handling tetrazolo[1,5-a]pyridine.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
(2021)
Article
Chemistry, Physical
Jean C. B. Vieira, Marcos A. Villetti, Clarissa P. Frizzo
Summary: This study investigates the thermal stability and decomposition mechanisms of dicationic ionic liquids through experimental and kinetic analysis. The results show that [Bis(C4MIM)][C6COO](2) is the most stable among the DILs, and an increase in the cation's spacer chain leads to a decrease in stability. Additionally, multiple reactions were found to occur during the decomposition process.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Engineering, Environmental
Dahai Zheng, Jie Cheng, Chengna Dai, Ruinian Xu, Xingli Wang, Ning Liu, Ning Wang, Gangqiang Yu, Biaohua Chen
Summary: This study investigated the pyrolytic processes of passenger-car-waste-tires (PCWT) and analyzed the composition and distribution of pyrolytic products. An integral pyrolytic mechanism network for PCWT was established, and a kinetic study revealed the activation energy for this complex reaction system.
Article
Chemistry, Physical
Xiaofei Huang, Fei Shi, Guoling Wang, Jiangbo Yu, Suhua Ma, Weifeng Li
Summary: This study investigates the kinetics and mechanism of ternesite formation and finds that ternesite can be formed through a solid-phase reaction between β-C2S and CaSO4 within a certain temperature range. Increasing the sintering temperature or extending the sintering time promotes the formation of ternesite.
Article
Forestry
Olga Shapchenkova, Sergei Loskutov, Antonina Aniskina, Zoltan Borcsok, Zoltan Pasztory
Summary: This study conducted thermal characterization of hardwoods of Hungarian origin, finding significant differences among different tree species in terms of mass loss and temperature of thermal degradation. Beech, hornbeam, and ash showed high mass loss, while sessile oak wood exhibited the greatest mass loss and highest temperature of thermoxidation. Activation energy values for thermal degradation of carbohydrates and thermoxidation of residual lignin and char were also calculated, showing variation among different wood species.
EUROPEAN JOURNAL OF WOOD AND WOOD PRODUCTS
(2022)
