Article
Geosciences, Multidisciplinary
Funing Li, Daniel R. Chavas
Summary: The study proposed a simple equation for calculating CAPE that can be directly derived from environmental parameters without lifting an air parcel. The research showed that the scaling CAPE closely correlates with true CAPE in reanalysis data, indicating a linear relationship with a scaling factor of 0.44.
GEOPHYSICAL RESEARCH LETTERS
(2021)
Article
Chemistry, Physical
Ivan S. Novikov, Yury Suleimanov, Alexander Shapeev
Summary: Ring polymer molecular dynamics (RPMD) is an accurate method for calculating thermal chemical reaction rates. It was found that simulation parameters strongly affect low-temperature calculations, and adjustments are needed to improve accuracy at low temperatures.
CHEMICAL PHYSICS LETTERS
(2021)
Article
Chemistry, Physical
Yuri Bedjanian
Summary: In this study, the kinetics of the reaction between hydroxyl radicals and HBr were investigated using various methods, and a temperature-dependent rate constant expression was determined. The results provide an experimental dataset for atmospheric and combustion chemistry modeling.
JOURNAL OF PHYSICAL CHEMISTRY A
(2021)
Article
Chemistry, Physical
Jiaxin Luo, Xiong Cheng, Chaofa Zhong, Xinhua Chen, Y. W. Ye, H. Zhao, H. Chen
Summary: Experimental results showed that N-CDs have a significant inhibitory effect on the corrosion of steel in 1 M HCl environment, with the inhibition efficiency being influenced by reaction temperature and time. The best inhibition performance was observed at 180 degrees C and 1 hour reaction time for N-CDs on steel corrosion.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Environmental Sciences
F. Ortmeyer, D. Begerow, M. A. Guerreiro, S. Wohnlich, A. Banning
Summary: The study investigated the efficiency of four organic substances as electron donors for denitrification, finding ethanol to be the most effective carbon source for enhancing NO3- degradation at 10 degrees C. Temperature was identified as a key variable in denitrification, with substantial differences observed in reaction rates between different organic substances and temperatures.
WATER RESOURCES RESEARCH
(2021)
Article
Information Science & Library Science
Tyreal Yizhou Qian, Bo Yu, Robbie Matz, Lei Luo, Chenglong Xu
Summary: This study surveyed esports consumers to explore the relationships between gamification dimensions, TAM determinants, and SLS platform loyalty. The findings revealed the effectiveness of gamification and heterogeneity among esports consumers, providing important insights for theory and management.
TELEMATICS AND INFORMATICS
(2023)
Article
Chemistry, Analytical
Abdulmajid Abdullahi Shagalia, Mohamed E. Mostafa, Hanjian Li, Song Hu, Jun Xu, Long Jiang, Yi Wang, Sheng Su, Jun Xiang
Summary: Understanding the thermal degradation characteristics, kinetic behavior, and thermodynamic parameters is crucial for designing and optimizing large-scale conversion systems. This study compared the pyrolysis characteristics and thermodynamic parameters of corn cobs, peanut shells, and sugarcane bagasse using high heating rates in TGA experiments. The results showed that increasing heating rates affected the pyrolysis characteristics due to compositional differences. The kinetic parameters estimated that the activation energies of corn cobs and peanut shells were lower than that of sugarcane bagasse.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
(2023)
Article
Chemistry, Applied
Gang Wu, Hao Chen, Yuqiang Li
Summary: This study provides a theoretical basis for the application of monoglyme in advanced combustion technologies by uncovering its low-temperature oxidation mechanism and calculating the rate constants of key reactions.
FUEL PROCESSING TECHNOLOGY
(2023)
Article
Thermodynamics
Bingjie Chen, Peng Liu, Zepeng Li, Nils Hansen, William L. Roberts, Heinz Pitsch
Summary: This study comprehensively explored the formation pathways of furan from different substrates, providing insights into the chemistry of furan formation in low temperature oxidation. The proposed new reaction pathways were found to contribute to both furan formation and fuel consumption, improving the prediction accuracy compared to the base model.
COMBUSTION AND FLAME
(2021)
Article
Thermodynamics
Shanshan Ruan, Jiuzheng Yin, Ying Shi, Chunlan Qin, Kangwei Xu, Chenliang He, Xixi Hu, Lidong Zhang
Summary: In this study, the low-temperature oxidation mechanism of carbon-neutral fuel diethoxymethane (DEM) was investigated. The reaction potential energy surfaces (PESs) of three different DEM radicals reacting with O2 were explored. The rate constants of the relevant reactions were calculated and the main reaction channels were discussed. The data obtained were incorporated into the DEM combustion model, showing good agreement with experimental data and providing support for further study.
COMBUSTION AND FLAME
(2023)
Article
Engineering, Environmental
Connor J. Taylor, Megan Booth, Jamie A. Manson, Mark J. Willis, Graeme Clemens, Brian A. Taylor, Thomas W. Chamberlain, Richard A. Bourne
Summary: A novel kinetic modelling methodology was developed to identify the correct reaction model and kinetic parameters by an autonomous framework combined with transient flow measurements; an automated flow chemistry platform conducted linear flow-ramp experiments to map reaction profiles rapidly; computational approach discriminated between possible reaction models and identified correct kinetic parameters for each process.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Materials Science, Multidisciplinary
Ebrahim Alaei, Benjy Marks, Itai Einav
Summary: This study combines the advantages of traditional plasticity models and hydrodynamic models to construct a new physics-based hydrodynamic-plasticity model formulation, which is comprehensively predictive.
JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS
(2021)
Article
Materials Science, Multidisciplinary
Alex Cole, Gregory J. Loges, Gary Shiu
Summary: This research applies modern methods in computational topology to discover and characterize phase transitions, utilizing persistent homology to compute topological features and persistence images to distinguish phases. By employing logistic regression on these images, relevant features such as magnetization, frustration, and vortex-antivortex structure are identified as key factors in phase transitions. This method also defines persistence critical exponents and explores their relationship with traditionally considered critical exponents.
Article
Environmental Sciences
Xiao Zhang, Shaochen Li, Yandong Yang, Yuanhui Zhao, Jiao Qu, Chao Li
Summary: In this study, two quantitative structure-activity relationship models were developed for non-ionic and ionic species to predict their reaction rate constants with ozone. These models showed good predictive performance and applicability and can be used to estimate the conversion rate of pollutants by ozone in urban sewage and drinking water treatment.
SCIENCE OF THE TOTAL ENVIRONMENT
(2022)
Article
Agricultural Engineering
Wojciech Jerzak, Marcin Gajek, Aneta Magdziarz
Summary: The purpose of this study was to investigate the effect of adding NH4Cl to oat straw on the evolved gases, kinetic triplet, and thermodynamic parameters during the pyrolysis process at 873 K. The results showed that the addition of NH4Cl promoted carbonization of the chars, formation of C-N bonds, and reduced the production of CH4 and CO2. Furthermore, the addition of NH4Cl increased the mean values of the effective activation energy and thermodynamic parameters.
BIORESOURCE TECHNOLOGY
(2023)
Article
Engineering, Environmental
Xinping Zhang, Yuxin Guo, Xiaoyang Liu, Shun-Yu Wu, Ya-Xuan Zhu, Shao-Zhe Wang, Qiu-Yi Duan, Ke-Fei Xu, Zi-Heng Li, Xiao-Yu Zhu, Guang-Yu Pan, Fu-Gen Wu
Summary: This study develops a nanotrigger HCFT for simultaneous photodynamic therapy and light-triggered ferroptosis therapy. The nanotrigger can relieve tumor hypoxia, induce enhanced photodynamic reaction, and facilitate the continuation of Fenton reaction, ultimately leading to lethal ferroptosis in tumor cells.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Olumide Bolarinwa Ayodele, Toyin Daniel Shittu, Olayinka S. Togunwa, Dan Yu, Zhen-Yu Tian
Summary: This study focused on the semihydrogenation of acetylene in an ethylene-rich stream using two alloyed Pt catalysts PtCu and PtCo. The PtCu catalyst showed higher activity and ethylene yield compared to PtCo due to its higher unoccupied Pt d-orbital density. This indicates that alloying Pt with Cu is more promising for industrial relevant SHA catalyst.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Guowei Chen, Wen-Cheng Chen, Yaozu Su, Ruicheng Wang, Jia-Ming Jin, Hui Liang, Bingxue Tan, Dehua Hu, Shaomin Ji, Hao-Li Zhang, Yanping Huo, Yuguang Ma
Summary: This study proposes an intramolecular dual-locking design for organic luminescent materials, achieving high luminescence efficiency and performance for deep-blue organic light-emitting diodes. The material also exhibits unique mechanochromic luminescence behavior and strong fatigue resistance.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Joren van Stee, Gregory Hermans, Jinu Joseph John, Koen Binnemans, Tom Van Gerven
Summary: This work presents a continuous solvent extraction method for the separation of cobalt and nickel in a millifluidic system using Cyphos IL 101 (C101) as the extractant. The optimal conditions for extraction performance and solvent properties were determined by investigating the effects of channel length, flow rate, and temperature. The performance of a developed manifold structure was compared to a single-channel system, and excellent separation results were achieved. The continuous separation process using the manifold structure resulted in high purity cobalt and nickel products.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Yan Xu, Jingai Jiang, Xinyi Lv, Hui Li, Dongliang Yang, Wenjun Wang, Yanling Hu, Longcai Liu, Xiaochen Dong, Yu Cai
Summary: A programmed gas release nanoparticle was developed to address the challenges in treating diabetic infected wounds. It effectively removes drug-resistant pathogens and remodels the wound microenvironment using NO and H2S. The nanoparticle can eliminate bacteria and promote wound healing through antibacterial and anti-inflammatory effects.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Tong Xia, Zhilin Xi, Lianquan Suo, Chen Wang
Summary: This study investigated a highly efficient coal dust suppressant with low initial viscosity and high adhesion-solidification properties. The results demonstrated that the dust suppressant formed a network of multiple hydrogen bonding cross-linking and achieved effective adhesion and solidification of coal dust through various chemical reactions.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Jinzhi Cai, Zhenshan Li
Summary: A density functional theory-based rate equation was developed to predict the gas-solid reaction kinetics of CaO carbonation with CO2 in calcium looping. The negative activation energy of CaO carbonation close to equilibrium was accurately predicted through experimental validation.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Jianxiong Chen, Fuhao Ren, Ningning Yin, Jie Mao
Summary: This study presents an economically efficient and easily implementable surface modification approach to enhance the high-temperature electrical insulation and energy storage performance of polymer dielectrics. The self-assembly of high-insulation-performance boron nitride nanosheets (BNNS) on the film surface through electrostatic interactions effectively impedes charge injection from electrodes while promoting charge dissipation and heat transfer.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Zijian Li, Zhaohui Yang, Shao Wang, Hongxia Luo, Zhimin Xue, Zhenghui Liu, Tiancheng Mu
Summary: This study reports a strategy for upgrading polyester plastics into value-added chemicals using electrocatalytic methods. By inducing the targeted transfer of *OH species, polyethylene terephthalate was successfully upgraded into potassium diformate with high purity. This work not only develops an excellent electrocatalyst, but also provides guidance for the design of medium entropy metal oxides.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Navneet Singh Shekhawat, Surendra Kumar Patra, Ashok Kumar Patra, Bamaprasad Bag
Summary: This study primarily focuses on developing a sulphur dyeing process at room temperature using bacterial Lysate, which is environmentally friendly, energy and cost effective, and sustainable. The process shows promising improvements in dye uptake and fastness properties.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Dengjia Shen, Hongyang Ma, Madani Khan, Benjamin S. Hsiao
Summary: This study developed cationic PVC nanofibrous membranes with high filtration and adsorption capability for the removal of bacteria and hexavalent chromium ions from wastewater. The membranes demonstrated remarkable performance in terms of filtration efficiency and maximum adsorption capacity. Additionally, modified nanofibrous membranes were produced using recycled materials and showed excellent retention rates in dynamic adsorption processes.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Xiaoyan Wang, Zhikun Wang, Ben Jia, Chunling Li, Shuangqing Sun, Songqing Hu
Summary: Inspired by photosystem II, self-supported Fe-doped NiCoP nanowire arrays modified with carboxylate were constructed to boost industrial-level overall water splitting by employing the concerted proton-coupled electron transfer mechanism. The introduction of Fe and carboxyl ligand led to improved catalytic activity for HER and OER, and NCFCP@NF exhibited long-term durability for overall water splitting.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Pengyao Yu, Ge Yang, Yongming Chai, Lubomira Tosheva, Chunzheng Wang, Heqing Jiang, Chenguang Liu, Hailing Guo
Summary: Thin LTA zeolite membranes were prepared through secondary growth of nano LTA seeds in a highly reactive gel, resulting in membranes with superior permeability and selectivity in gas separation applications.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Baiqin Zhou, Huiping Li, Ziyu Wang, Hui Huang, Yujun Wang, Ruichun Yang, Ranran Huo, Xiaoyan Xu, Ting Zhou, Xiaochen Dong
Summary: The use of machine learning to predict the performance of specific adsorbents in phosphate adsorption shows great promise in saving time and revealing underlying mechanisms. However, the small size of the dataset and insufficient detailed information limits the model training process and the accuracy of results. To address this, the study employs a fuzzing strategy that replaces detailed numeric information with descriptive text messages on the physiochemical properties of adsorbents. This strategy allows the recovery of discarded samples with limited information, leading to accurate prediction of adsorption amount, capacity, and kinetics. The study also finds that phosphate uptake by adsorbents is generally through physisorption, with some involvement of chemisorption. The framework established in this study provides a practical approach for quickly predicting phosphate adsorption performance in urgent scenarios, using easily accessible information.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Paula Alejandra Lamprea Pineda, Joren Bruneel, Kristof Demeestere, Lisa Deraedt, Tex Goetschalckx, Herman Van Langenhove, Christophe Walgraeve
Summary: This study evaluates the use of four esterified fatty acids and three vegetable oils as absorption liquids for hydrophobic VOCs. The experimental results show that isopropyl myristate is the most efficient liquid for absorbing the target VOCs.
CHEMICAL ENGINEERING JOURNAL
(2024)