Article
Chemistry, Multidisciplinary
Siwei Yang, Xuelian Wang, Peng He, Anli Xu, Gang Wang, Junli Duan, Yiqin Shi, Guqiao Ding
Summary: This study demonstrates the potential of N-doped graphene quantum dots as sonosensitizers, with superior sonosensitization effect believed to be three to five times higher than traditional sonosensitizers. The sonochemical mechanism of N-GQDs, forming catalytic centers with pyrrole N and pyridine N, has been revealed in the study.
Article
Green & Sustainable Science & Technology
Xinyu Zhang, Hai Nguyen Tran, Yena Liu, Chao Yang, Tingwei Zhang, Jiaqi Guo, Wenyuan Zhu, Mehraj Ahmad, Huining Xiao, Junlong Song
Summary: In this study, a facile one-pot approach was developed for the synthesis of magnetic self-nitrogen-doped biochar using K3[Fe(C2O4)3] as an activator and iron supplier. The magnetic self-nitrogen-doped biochar exhibited a large specific surface area and excellent adsorption capacities for Congo red and Rhodamine B.
JOURNAL OF CLEANER PRODUCTION
(2023)
Article
Chemistry, Physical
Wei Ge, Hengheng Mao, Yunjia Ling, Fanfei Min, Jun Chen, Lingyun Liu, Yong Zhang, Shaoxian Song
Summary: The adsorption mechanism of chitosan onto kaolinite surface was investigated by density functional theory (DFT) calculation. It was found that the adsorption energies of chitosan varied significantly on different kaolinite surfaces but showed little difference at different sites on the same surface. The interaction between chitosan and kaolinite was mainly through hydrogen bonds, and the structural difference between kaolinite surfaces was the main reason for the difference in their interaction with chitosan.
Article
Engineering, Environmental
Yizhen Cheng, Binyuan Wang, Jimin Shen, Pengwei Yan, Jing Kang, Weiqiang Wang, Lanbo Bi, Xinwei Zhu, Yabin Li, Shuyu Wang, Linlu Shen, Zhonglin Chen
Summary: Novel nitrogen-doped cellulose biochar with large adsorption capacity for atrazine was synthesized through one-pot method. It has excellent adsorption efficiency and recycling efficiency, making it a promising candidate for practical applications.
JOURNAL OF HAZARDOUS MATERIALS
(2022)
Article
Chemistry, Applied
Xuping Yang, Bin Cao, Ding Jiang, Sirong He, Chuan Yuan, Hongping Li, Salman Raza Naqvi, Shuang Wang
Summary: This study investigated the catalytic effect of Enteromorpha-based char (EPC) on guaiacol, confirming the functional groups of EPC through FTIR and XPS characterization. Experimental results showed that guaiacol conversion increased with the addition of EPC until complete conversion. Density functional theory (DFT) calculations revealed that the catalytic model with carboxyl and hydroxyl groups exhibited excellent adsorption performance for guaiacol and can convert guaiacol to phenol with lower reaction energy barriers. This study provides insights into the mechanism of catalytic pyrolysis of guaiacol on EPC and has implications for designing more efficient biochar catalysts.
FUEL PROCESSING TECHNOLOGY
(2023)
Article
Engineering, Chemical
Yang Zhang, Long Cheng, Yuanhui Ji
Summary: In this study, high-performance activated carbons with high specific surface area were achieved using sesame straw as a precursor. The addition of co-activators further enhanced the pore structure and adsorption performance of the activated carbons. The adsorption mechanism of antibiotics on these activated carbons was found to involve electrostatic interaction, hydrogen bond, and pi-pi interaction.
CHEMICAL ENGINEERING RESEARCH & DESIGN
(2022)
Article
Chemistry, Physical
Xiang Xu, Yang You, Xingyu Liu, Dafu Wei, Yong Guan, Anna Zheng
Summary: The study found that 0.1-0.5 wt% of multi-wall carbon nanotubes can prevent the auto-oxidation degradation of fluorosilicone rubber by scavenging alkyl radicals, showing antioxidant effect. Density functional theory calculations revealed that carbon nanotubes are an open-shell system capable of reacting with highly reactive radicals.
Article
Agricultural Engineering
Xiheng Kang, Jian Peng, Arthur J. Ragauskas, Xiaofei Ren, Chuanling Si, Shuangfei Wang, Xueping Song
Summary: This study clarifies the competitive effects of glucan's main hydrolysates on biochar formation and analyzes the composition and formation mechanism of biochar. It will contribute to further research on the complex formation mechanism of cellulose-based biochar.
BIORESOURCE TECHNOLOGY
(2022)
Article
Environmental Sciences
Viet Cuong Dinh, Chia-Hung Hou, Thuy Ninh Dao
Summary: In this study, oxygen- and nitrogen-doped porous oxidized biochar was fabricated through a simple and green oxidation method. The improved surface functionality and porosity resulted in increased heavy metal removal efficiency. The chemical mechanism was mainly governed by monolayer adsorption of Cu(II) onto a homogeneous surface of the doped biochar.
Article
Engineering, Environmental
Hongxian Li, Minghui Tang, Xinlei Huang, Ling Wang, Qi Liu, Shengyong Lu
Summary: By combining experimental and theoretical calculations, a N-doped biochar with excellent CO2 adsorption performance was successfully prepared, and the promotion mechanism of N-doping was revealed in detail.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Physical
Suseeladevi Asha, Deepthi Thomas, K. P. Vijayalakshmi, Benny K. George
Summary: The thermal stability and decomposition mechanisms of two pyrrolidinium based ionic liquids were investigated using Py-GC-MS and DFT, revealing different decomposition pathways and comparable activation energy parameters between experimental and computational methods.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Thermodynamics
Chaohe Zheng, Haibo Zhao
Summary: This study used density functional theory (DFT) calculations to investigate the interaction among H2S, CO, and CuO in chemical looping combustion (CLC). The results show that CO inhibits the dissociation of H2S, while the presence of H2S dissociation products has a mixed impact on CO oxidation activity.
PROCEEDINGS OF THE COMBUSTION INSTITUTE
(2021)
Article
Environmental Sciences
Zhengshuai Sun, Dingding Yao, Huang Guo, Haodong Zhu, Wenbin Hua, Qiaoxia Yuan, Liqi Zhang, Qizhou Fan, Baojun Yi
Summary: In this study, N-containing biochar was prepared under different conditions, and the interaction between N-containing biochar and biomass pyrolysis volatiles was studied. The results showed that N-containing biochar can act as adsorbents, catalysts, and reactants simultaneously, and different N configurations have different catalytic effects.
JOURNAL OF ENVIRONMENTAL MANAGEMENT
(2023)
Article
Engineering, Environmental
Bingxiang Liu, Tong Chen, Bing Wang, Shaoqi Zhou, Zihang Zhang, Yucheng Li, Xiaoxue Pan, Ning Wang
Summary: The alkaline hydrogen peroxide pretreatment greatly enhanced the Cd2+ adsorption performance of sesame straw-derived biochar, mainly affected by the surface functional groups. The dominant adsorption mechanisms for Cd2+ were identified as ion exchange, co-precipitation, surface complexation, and Cd2+-pi interaction, with experimental results fitting well with the BJP model.
JOURNAL OF HAZARDOUS MATERIALS
(2022)
Article
Chemistry, Physical
Chenghao Li, Bing Xu, Lili Chen, Mengmeng Jin, Guiyun Yi, Lunjian Chen, Baolin Xing, Yulong Zhang, Yuanfeng Wu
Summary: N-doping biochar was successfully prepared using peanut shell and urea, exhibiting a good ability to activate persulfate for phenol degradation. The effects of carbonization time, co-pyrolysis temperature, co-pyrolysis time, and the doping ratio of biochar on persulfate activation were investigated. The results showed an efficiency of 93% for phenol degradation catalyzed by persulfate and biochar, with a total organic carbon removal rate of 66%. The study also demonstrated that the phenol removal rate remained at 81% even after four cycles. ESR and capture experiments confirmed the presence of both free radicals and non-free radicals, and DFT calculations showed an uneven electron distribution in N-doping biochar compared to the original biochar. This research provides insights for the treatment of phenolic wastewater and enhances our understanding of the N-doping biochar/persulfate degradation mechanism.
Article
Engineering, Chemical
Yuandong Cui, Bin He, Yu Lei, Yu Liang, Wanting Zhao, Jian Sun, Xiaomin Liu
Summary: Efficient and sustainable lignin-based absorbents were prepared by grafting the active amine group on a lignin-derived compound. These absorbents showed low cost, high efficiency, and good sustainability, addressing the challenges of existing petroleum-based CO2 absorbents.
CHINESE JOURNAL OF CHEMICAL ENGINEERING
(2023)
Article
Engineering, Environmental
Lisong Dong, Xiaoyao Zhou, Shuxin Zheng, Zhongfan Luo, Yuxiang Nie, Xin Feng, Jiahua Zhu, Zhangzhong Wang, Xiaohua Lu, Liwen Mu
Summary: In this study, MXene and liquid metal (LM) are used to form a spring structure in ionic gels, improving their mechanical properties and self-healing efficiency. The conductive paths based on double fillers are greatly destroyed during the straining process, leading to a high gauge factor. This study provides a new approach for the preparation of highly sensitive sensing materials for human body monitoring and applications in other domains.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Engineering, Environmental
You Zhang, Chunlei Wei, Ming-Xue Wu, Yan Wang, Hao Jiang, Guohui Zhou, Xiao Tang, Xiaomin Liu
Summary: Aqueous zinc-bromine batteries integrated with COF-bromine cathode and COF-coated zinc metal anode can effectively solve the problems of zinc dendrite growth and bromine species shuttle effect, achieving stable and efficient energy storage. The COF exhibits strong adsorption towards Br species, immobilizing them and facilitating bidirectional conversion of polybromide. The COF artificial layer on the zinc metal anode regulates zinc flux and prevents dendrite growth. The COF-Zn||Br-2-exCOF full cell delivers a remarkable capacity of approximately 183 mAh g(-1) (approximately 0.61 mAh cm(-2)) after 1000 cycles, with capacity retention of about 83% at 2 A g(-1) and high Coulombic efficiency of -99%. This work inspires insights into developing high-performance aqueous zinc-bromine battery systems.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Thermodynamics
Timing Fang, Chunlei Wei, Xiangshuai Meng, Guohui Zhou, Xiaomin Liu
Summary: The behavioral processes of gas separation and transfer in homogeneous and biphasic cellulose/ionic liquid membranes have been studied using molecular dynamics simulations. Structural homogeneity is the main criterion for separation. It is revealed that solvent homogeneity affects gas separation at the molecular level, which may enhance the creation and design of two-dimensional materials in the future.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2023)
Article
Chemistry, Physical
Kun Zhang, Guohui Zhou, Timing Fang, Xiao Tang, Xiaomin Liu
Summary: The changing self-assembled nanostructures of catanionic surface-active ionic liquid (SAILs) with unsaturated heterocycles were investigated using molecular dynamics simulations. It was found that SAILs with unsaturated heterocycles exhibited unique charging processes and different performances for energy storage due to their different cation nanostructures near negative electrodes. The unsaturated heterocycles have a high tendency to align parallel to the electrode plate, increasing the Coulombic interaction and bringing additional cations closer to the electrode, leading to a higher energy density.
APPLIED SURFACE SCIENCE
(2023)
Review
Chemistry, Applied
Guomei Ren, Keming Wan, Hao Kong, Lei Guo, Yan Wang, Xiaomin Liu, Gang Wei
CARBOHYDRATE POLYMERS
(2023)
Article
Engineering, Environmental
Keming Wan, Timing Fang, Wenliang Zhang, Guomei Ren, Xiao Tang, Zhezheng Ding, Yan Wang, Pengfei Qi, Xiaomin Liu
Summary: MXene-based nanocomposite membranes consisting of cellulose nanofibrils (CNFs) as functional scaffolds and in situ anchored beta-FeOOH nanorods demonstrate stable and pH-independent removal capacities for antimony (Sb) species in both static and continuous flow-through modes. These membranes also exhibit excellent self-cleaning capability through photo-Fenton degradation of adsorbed organic dye. Molecular dynamics simulations support their superior dynamic removal performance towards Sb species. This work provides insights for the design of mechanically robust MXene-based water purification membranes with favorable self-cleaning property.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Engineering, Chemical
Jing Tang, Xiangshuai Meng, Xiujie Cheng, Qingqing Zhu, Dongxia Yan, YuJin Zhang, Xingmei Lu, Chunyan Shi, Xiaomin Liu
Summary: Cosolvent-enhanced methanol alcoholysis was used to achieve efficient degradation of poly(ethylene terephthalate) (PET). The addition of a cosolvent significantly reduced the reaction temperature and time, and the conversion of PET reached 100%. The cosolvent increased the specific surface area of PET, enhanced the mass transfer of methanol, and reduced the activation energy of the reaction.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Article
Materials Science, Composites
Yuxiang Nie, Xiaoyao Zhou, Lisong Dong, Zhangzhong Wang, Xin Feng, Jiahua Zhu, Xiaohua Lu, Liwen Mu
Summary: A series of epoxy composite coatings filled with liquid metal (LM) and graphene oxide (GO) were prepared and studied for their thermal, tribological, and mechanical properties. Results showed that the LM@GO filler could be uniformly dispersed in epoxy coating, reducing wear volume and improving its mechanical properties. The composite coating exhibited a significant reduction in wear volume by 91.7% and an increase in elastic modulus by 16.3% compared to pure epoxy when the filler content was 0.5 wt% LM and 0.03 wt% GO. The synergistic effect of friction reduction from LM and mechanical support from GO enhanced the wear resistance of the composite coating. The chemical stability experiments also demonstrated its strong resistance to acid and alkali. This work highlights the potential applications of epoxy-LM@GO in mechanical molds and electronic components.
POLYMER COMPOSITES
(2023)
Article
Energy & Fuels
Caiyi Zhang, Ting Guo, Luis K. K. Ono, Shuai Yuan, Tianhao Wu, Hengyuan Wang, Jiahao Zhang, Xiaomin Liu, Xiaomin Huo, Congyang Zhang, Chenfeng Ding, Tongtong Li, Yanbo Wang, Liyuan Han, Yabing Qi
Summary: It has been reported that the loss of iodine from the perovskite layer is one of the factors leading to stability issues in iodine-containing perovskite solar cells. In this study, bidentate coordination is used to construct a stable perovskite-based heterostructure with undercoordinated I- on the perovskite surface. This strong halogen bonding effectively prevents the migration of I- into functional layers and the release of I-2, resulting in a high power conversion efficiency of 22.59% for the inverted perovskite solar cell and a 96.15% maintenance of its initial value after continuous operation for 500 h under illumination.
Article
Chemistry, Multidisciplinary
You Zhang, Shengzhe Ying, Zhezheng Ding, Chuanlong Wei, Qing Wang, Chengwang Zhou, Guohui Zhou, Xiao Tang, Xiaomin Liu
Summary: This study proposes an aqueous ammonium-iodine battery with a chaotropic electrolyte and specific anode and cathode materials. Experimental and theoretical results indicate that the chaotropic electrolyte enhances electrolyte stability and forms a hydrophobic cationic sieve on the anode, ensuring stability of the electrolyte and electrode. Additionally, the Cl--containing electrolyte supports consecutive I+/I-0 reactions on the cathode.
Article
Computer Science, Artificial Intelligence
Xinfeng Zhang, Jiaming Zhang, Yitian Zhang, Maoshen Jia, Hui Li, Xiaomin Liu
Summary: Accurate segmentation of hard exudates in early non-proliferative diabetic retinopathy can assist physicians in targeted treatment to avoid vision damage caused by disease deterioration. CT-ALUnet, an Adaptive Learning Unet-based adversarial network with Convolutional neural network and Transformer, is proposed for automatic segmentation of hard exudates.
IET IMAGE PROCESSING
(2023)
Article
Engineering, Chemical
Jikai Zhang, Guohui Zhou, Timing Fang, Zhezheng Ding, Xiaomin Liu
Summary: This study investigates the separation mechanism of lignin and cellulose in ionic liquids (ILs) by molecular dynamics simulation. The relative separation factor and the relative diffusion factor are proposed to define the separation effect of ILs on lignin and cellulose. The simulation results reveal significant differences in separation speed, separation capacity, structure, and H-bond changes in the [Choline][Gly] system, which are conducive to the separation of lignin and cellulose. This study provides insights into the separation of biomass and the application of ILs.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Article
Chemistry, Physical
Wenhui Yao, Yongkui Chen, Timing Fang, Xiaomin Liu, Xiao Zhao, Shuaiqi Gao, Zhiyong Li, Huiyong Wang, Jianji Wang
Summary: In this study, a new type of thermally responsive material was fabricated by anchoring polyethylene glycol functionalized ionic liquids (ILs) on the walls of covalent organic frameworks (COFs) through strong hydrogen bonding. The ILs exhibited lower critical solution temperature (LCST)-type phase behavior within the COF nanopores under high moisture levels, similar to traditional IL/water mixtures. The strong interaction between the IL and COF led to a decrease in the phase separation temperature of the aqueous IL within the COF channels. The proton conductivity of ILm @COF could be reversibly switched by phase miscibility and separation in the COF nanopores, with no obvious decrease observed even after 20 switching cycles.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Physical
Yun Wang, Haiyuan Zhang, Jie Zhang, Yijie Fu, Yuyin Wang, Yang Bai, Xin Feng, Jiahua Zhu, Xiaohua Lu, Liwen Mu, Wei Li
Summary: This paper addresses the issue of methane, the world's second most potent greenhouse gas, and proposes a method for the removal of low concentrations of methane through a solar-driven advanced oxidation process to fully oxidize it into carbon dioxide. The paper first introduces the selective conversion of high-concentration methane and discusses its mechanism, and then points out the total oxidation reaction reported in selective conversion, hoping to guide the removal of low-concentration methane.
CATALYSIS SCIENCE & TECHNOLOGY
(2023)
Article
Engineering, Chemical
Qing Han, Mengqing Shi, Linkai Han, Di Liu, Mingwei Tong, Yuxin Xie, Zhonghua Xiang
Summary: Developing highly efficient bifunctional oxygen electrocatalysts is crucial for zinc-air flow batteries. Metal-organic frameworks (MOFs) and covalent organic polymers (COPs) have emerged as promising alternatives due to their designable and controllable atomic-level structures. However, their catalytic performances are limited by conductivity and catalytic activity. In this study, nanosheet FeNi-MOF and iron phthalocyanine rich COP hybrid materials are assembled through the pi-pi stacking effect to create highly efficient bifunctional electrocatalysts. The resulting catalyst exhibits superior catalytic performance and stability, making it a promising candidate for zinc-air flow batteries.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Daria Grigorash, Dmytro Mihrin, Rene Wugt Larsen, Erling H. Stenby, Wei Yan
Summary: The article introduces a new approach to describe the cross-association between molecules, allowing for the simulation of weakly bound molecular complexes with different conformations in mixtures. By incorporating this approach into the equation of state, accurate predictions of vapor-liquid equilibrium and liquid-liquid equilibrium can be made. The new method is validated through experiments on alcohol and acid mixtures, with the results compared to experimental data, demonstrating its accuracy and reliability.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Mohammed Al-Sharabi, Daniel Markl, Vincenzino Vivacqua, Prince Bawuah, Natalie Maclean, Andrew P. E. York, Axel Zeitler
Summary: This study used terahertz pulsed imaging to investigate the transport process of different solvents into ceramic catalytic materials. The results showed that the heating rate of the samples influenced the water transport rate, while the viscosity of 1-octanol slowed down its transport.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Chukwunonso Anyaoku, Sati Bhattacharya, Rajarathinam Parthasarathy
Summary: This study aimed to enhance understanding of settling dynamics in viscoelastic fluids by developing a semi-empirical correlation and a dimensionless ratio, which accurately described the characteristics of settling suspensions.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Antti I. Koponen, Janika Viitala, Atsushi Tanaka, Baranivignesh Prakash, Olli-Ville Laukkanen, Ari Jasberg
Summary: This study focuses on the development of foam application chemicals for the paper and board industry. The research explores the rheology of the polyvinyl alcohol foam used in the process. Measurements were conducted to determine the foam viscosity and slip flow. The results suggest that slip flow contributes significantly to the total flow rate, and the obtained viscosity and slip models provide a solid foundation for industrial processes.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Dalei Sun, Jinghui Cai, Yating Yang, Zhiwu Liang
Summary: In this study, Fe-doped alpha-Bi2O3 catalysts with different Fe/Bi molar ratios were synthesized and utilized in the carbonylation of isobutyl amine with CO2. The results showed that Fe doping significantly enhanced the catalytic abilities of alpha-Bi2O3.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Yuan Tian, Xinxin Wang, Yanrong Liu, Wenping Hu
Summary: This paper predicts the solubility of nitrogen gas in ionic liquids (ILs) using two quantitative structure-property relationship (QSPR) models. By combining machine learning methods and ionic fragments contribution method, the accuracy and reliability of the prediction models are improved.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Liwang Wang, Wei Liu, Pan Yang, Yulong Chang, Xiaoxu Duan, Lingyu Xiao, Yaoming Hu, Jiwei Wu, Liang Ma, Hualin Wang
Summary: This study investigates the effective phase interfacial area (ae) of hydro-jet cyclones at different injection angles. The results show that a 45 degrees upward incidence angle yields the most favorable flow field characteristics for efficient mass transfer. The significant enhancement in ae of the hydro-jet cyclones offers the advantage of reducing equipment volume and cost savings.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Chuanjun Wu, Jiangzhi Chen, Jiyue Sun, I-Ming Chou, Shenghua Mei, Juezhi Lin, Lei Jiang
Summary: In this study, the solubility of H2S hydrate in water was measured using Raman spectroscopy. The results showed that the solubility increases with temperature under certain equilibrium conditions, and the solubility also depends on pressure and temperature under different equilibrium conditions. A thermodynamic model based on the van der Waals-Platteeuw theory was developed to predict the solubility, demonstrating its accuracy.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Lorenzo Brivio, Serena Meini, Mattia Sponchioni, Davide Moscatelli
Summary: This study investigates the influence of three main parameters and proposes a kinetic model to predict the optimal operating conditions for high yield of dimethyl terephthalate (DMT) in the chemical recycling process of polyethylene terephthalate (PET).
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Hongju Lin, Fanhui Liao, Yanchang Chu, Mingyu Xie, Lun Pan, Yuanyuan Wang, Lijian Leng, Donghai Xu, Le Yang, Gangfeng Ouyang
Summary: A honeycomb NiCo/C-Na catalyst with a micro-meso-macroporous structure has been fabricated and shown to have significantly higher catalytic activity for the decarboxylation of fatty acids. It also proves to be efficient in upgrading sludge HTL bio-crude, resulting in a biofuel with decreased viscosity and increased density.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Xiaoxian Li, Rui Li, Min Lin, Mingde Yang, Yulong Wu
Summary: A series of coated non-noble metal porous carbon catalysts were synthesized and applied to the aqueous-phase deoxygenation of algal bio-oil. One of the catalysts showed excellent deoxygenation selectivity and catalytic activity at 250 degrees C. The catalyst exhibited good hydrothermal stability and the reaction mechanism was proposed based on product analysis and active site analysis.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
M. V. Chudakova, M. V. Popov, P. A. Korovchenko, E. O. Pentsak, A. R. Latypova, P. B. Kurmashov, A. A. Pimenov, E. A. Tsilimbaeva, I. S. Levin, A. G. Bannov, A. V. Kleymenov
Summary: A series of catalysts with different potassium contents were prepared using solution combustion synthesis and characterized using various techniques. The results showed that the potassium content affected the phase composition and texture of the catalysts. The addition of a small amount of potassium resulted in a change in particle size distribution, leading to higher hydrogen yield. The Ni-1%K2O/Al2O3 catalyst exhibited the highest hydrogen yield at temperatures of 675 and 750 degrees Celsius.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Aliakbar Roosta, Nima Rezaei
Summary: In this study, we modified the electrolyte cubic plus association equation of state (e-CPA EoS) and integrated it with two electrical conductivity models to estimate the electrical conductivity of 11 monovalent electrolyte solutions in water. The modified e-CPA model demonstrated better performance and the hybridization with electrical conductivity models resulted in two predictive models for estimating the electrical conduction of dilute and concentrated electrolyte solutions. These predictive models showed relative average percentage deviations (AARD) of 11.15% and 13.87% over wide ranges of temperature and electrolyte concentration.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Haoren Niu, Jianzheng Wang, Qingzhu Jia, Qiang Wang, Jin Zhao, Fangyou Yan
Summary: A study developed two quantitative structure-property relationship models for the complexation performance of alpha- and beta-cyclodextrins and validated their stability and predictive ability through internal and external validation. The models showed robustness and satisfactory performance, as demonstrated by the experimental results and model validations. These models can effectively predict the binding constants between cyclodextrins and various types of molecules, providing valuable tools for cyclodextrin design.
CHEMICAL ENGINEERING SCIENCE
(2024)