Article
Materials Science, Multidisciplinary
Xiaoyu Wang, Fengda Pan, Xinhao Sun, Yongyan Li, Jun Zhou, Zhifeng Wang, Chunling Qin
Summary: This work presents the discovery of a nanoporous nickel@nickel oxide electrode (np-Ni@NiO) with excellent electro-catalytic degradation performance. The np-Ni@NiO electrode can completely degrade rhodamine B in just 30 seconds, surpassing most precious metals and their oxides. The fluffy sponge-like structure and abundant active sites of the np-Ni@NiO electrode facilitate the generation and transport of diverse active species, contributing to its remarkable degradation performance.
MATERIALS TODAY COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Jiawei Gu, Yuxia Xu, Qing Li, Huan Pang
Summary: The study investigates a porous cuboid Ni/NiO composite nanomaterial obtained by calcining NiC2O4 center dot 2H(2)O under a N-2 environment, showing good electrocatalytic properties, high sensitivity, and improved electrochemical stability.
CHINESE CHEMICAL LETTERS
(2021)
Article
Chemistry, Physical
Woonghee Choi, Youbin Kwon, Woong-Ryeol Yu, Dong Wook Kim
Summary: In this study, a graphite fiber electrode with electrochemical stability and mechanical flexibility is proposed for wearable batteries. Graphene oxide (GO) is used to support the graphite fiber electrodes, and a chemical treatment using hydrazine vapor is performed to reduce GO in the fiber. The fabricated fiber electrode shows high capacity and excellent capacity retention.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Multidisciplinary Sciences
E. E. Abdel-Hady, Ahmed Gamal, Hany Hamdy, Mohamed Shaban, M. O. Abdel-Hamed, Mahmoud A. Mohammed, Wael M. Mohammed
Summary: Prepared Ni1-xCrx nanoparticle samples loaded onto carbon nanofibers were studied for their electrocatalytic performance in methanol oxidation. Various techniques were used to analyze the samples' stoichiometry, structure, surface morphology, and electrochemical activity. It was found that adding Cr to Ni increased the activation energy of the electrooxidation reaction and improved the electrode stability. A powerful Ni-Pt-Cr-based catalyst for methanol electrooxidation was successfully fabricated using a novel approach.
SCIENTIFIC REPORTS
(2023)
Article
Chemistry, Multidisciplinary
Liqianyun Xu, Xixue Zhang, Renjie Chen, Feng Wu, Li Li
Summary: The study developed a high-efficiency lithium-ion battery electrode by embedding phosphorus-doped Ni/NiO yolk-shell nanospheres on wasted graphite, achieving high specific capacities and outstanding cycle stability. The key to the optimal performance of the composite electrode lies in the design of its internal vacuum space structure and the selection of materials to facilitate charge transfer and Li+ diffusion.
Review
Chemistry, Inorganic & Nuclear
M. Sivagami, I. Asharani
Summary: Dyes are widely used synthetic organic compounds in various industries, but the effluents released into water bodies cause pollution worldwide. Current methods for reducing toxic compounds in industrial effluents, such as physical, chemical, and biological approaches, are expensive and complex. However, the use of green-synthesized metal/metal oxide nanoparticles from plant extracts provides a cheap, non-toxic, and eco-friendly approach for the photocatalytic degradation of dye effluents.
INORGANIC CHEMISTRY COMMUNICATIONS
(2022)
Article
Engineering, Environmental
Ayse Kuleyin, Aysem Gok, Feryal Akbal
Summary: This study investigated the effectiveness of electro-Fenton (EF) technology for advanced treatment of biologically treated textile wastewater using graphite electrodes. The EF process significantly reduced color, COD, and TOC content of the wastewater under optimal operating conditions. In continuous system, high removal efficiencies were achieved for color, COD, and TOC, demonstrating the promising potential of EF process with graphite electrodes for improving wastewater quality.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2021)
Article
Chemistry, Physical
Chunhua Zhao, Shufan Han, Yanzhen Ding, Yongrong Yang, Ruiqi Jiang, Chongjun Zhao
Summary: This study reports the preparation of binder-free electrodes composed of nanostructured NiO/Ni(OH)2 covered with pseudo-capacitive materials loaded on a conductive substrate through a one-step hydrothermal process using amino acids as the carbon source. The resulting electrode showed battery-like behavior and outstanding charge/discharge performances, with a specific capacitance of 2586 F g-1 at 2.8 A g-1 and excellent stability with 91.30% retention after 20,000 cycles.
APPLIED SURFACE SCIENCE
(2021)
Article
Nanoscience & Nanotechnology
Shuyan Guan, Lulu An, Yumei Chen, Xianyun Liu, Jianchao Shi, Yulong Sun, Yanping Fan, Baozhong Liu
Summary: This study demonstrates the construction of an Fe-doped Ni/NiO nanocomposite film at an ionic liquid/water interface, showing improved catalytic activity for ammonia borane hydrolysis. The enhancing effect of Fe2+ doping on Ni/NiO films was confirmed, with the interfacial Ni-Fe2+ dual active sites playing a crucial role in the targeted adsorption and activation of water and NH3BH3 molecules. The exposed plane surface of the nanofilms provided abundant active sites for catalytic reactions, indicating a significant advance in the field of liquid hydrogen storage.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Energy & Fuels
Heng Ke, Jianzhi Wang, Ningbo Yu, Yuan Pu, Jianpeng Tan, Mixue Gong, Wenchong Zhang, Yanan Xue, Faquan Yu
Summary: Developing Ni/(m)CePO4 catalyst with compact heterojunction structure and large specific surface area was successfully achieved through thermal treatment of Ni-BTC/CePO4 precursor at low temperature. The Ni/0.1CePO4 catalyst exhibited excellent electrocatalytic hydrogen evolution reaction (HER) performance with a low overpotential of -120 mV at -10 mA cm-2 and a optimal Tafel slope of 72 mV dec-1. The catalyst also showed high photocatalytic activity for H2 generation with a speed of around 64 umol h-1. This work provides valuable insights for design of efficient catalysts for electro-/photo-catalytic HER.
Article
Engineering, Chemical
Alicia L. Garcia-Costa, Angela Luengo, Juan A. Zazo, Jose A. Casas
Summary: This study introduced the use of Microwave-assisted Catalytic Wet Peroxide Oxidation for the degradation of cutting-oil in water emulsions, achieving 82% removal of Total Organic Carbon in only 10 minutes. The complex degradation mechanism involves H2O2-mediated adsorption of pollutants onto the graphite surface and subsequent oxidation induced by hot-spots from microwave radiation.
SEPARATION AND PURIFICATION TECHNOLOGY
(2021)
Article
Chemistry, Physical
Lixue Peng, Yanqin Liang, Shuilin Wu, Zhaoyang Li, Huaijun Sun, Hui Jiang, Shengli Zhu, Zhenduo Cui, Li Li
Summary: In this study, a hierarchical nanoporous Ni/NiO catalyst with self-supported structures was prepared to enhance the catalytic activity for electrocatalytic hydrogen evolution reaction (HER) in alkaline medium. Short-time electro-oxidation significantly improved the catalytic performance of the catalyst, resulting in lower overpotential and higher current density. The nanoporous structure provided more active sites and facilitated the transfer of substances and charges, while the self-supporting structure ensured long-term stability of the catalyst.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Chemistry, Physical
Masih Darbandi, Mahsa Fathalipour Mohajer, Mahsa Eynollahi, Karim Asadpour-Zeynali
Summary: NiO and NiO-Ni nanoparticles were synthesized using a low-cost method and used to fabricate a sensor for the electrochemical determination of Metronidazole. The modified electrodes showed improved performance compared to bare electrodes, with low detection limits and wide concentration ranges.
Article
Engineering, Environmental
Haiqiang Qi, Xiuping Sun, Zhirong Sun
Summary: The etched graphite felt (EGF) prepared using the in situ CoOX etching process showed excellent performance in the electro-Fenton (E-Fenton) process, with high efficiency in pollutant removal and stable cycling properties.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Chemistry, Physical
Ayca Urcuk, Dilek Eskikoy Bayraktepe, Ceren Yildiz, Zehra Yazan
Summary: This work investigates the interaction between double-stranded calf thymus DNA (dsDNA) and the food additive vanillin through voltammetry. The study reveals the binding of vanillin to DNA through intercalation and electrostatic attraction.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Kai Wang, Chen Han, Fuping Li, Yu Liu, Zongping Shao, Lihong Liu, Shaobin Wang, Shaomin Liu
Summary: A series of strontium cobaltite perovskite oxides with different dopants were designed and investigated for their catalytic activity in degrading aqueous organic pollutants. The study found that the crystalline structure and surface properties of the oxides are correlated with their catalytic activity, with the Co-O bond length being a key factor in peroxymonosulfate (PMS) activation. This study provides new insights for the design of efficient perovskite oxide catalysts.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2023)
Review
Materials Science, Multidisciplinary
Wenjie Tian, Pingan Song, Huayang Zhang, Xiaoguang Duan, Yen Wei, Hao Wang, Shaobin Wang
Summary: This article comprehensively identifies and analyzes the distribution, sources, transport, fate, and potential risks of microplastics in water, air, and soil. Integrated strategies are proposed to mitigate the impact of microplastics on the environment, and critical reviews of degradation and conversion technologies are also provided.
PROGRESS IN MATERIALS SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Yangyang Yang, Lei Shi, Jingkai Lin, Panpan Zhang, Kunsheng Hu, Shuang Meng, Peng Zhou, Xiaoguang Duan, Hongqi Sun, Shaobin Wang
Summary: In this study, a magnetic FeOx@MnO2@SiO2 micromotor with multiple functions was designed, which demonstrated its catalytic performance in the activation of H2O2/peroxymonosulfate (PMS) for sustained motion and organic degradation. The correlations between catalytic efficiency and motion behavior/mechanism were also revealed.
Article
Energy & Fuels
Xinyuan Xu, Jinqiang Zhang, Hong Wu, Lei Shi, Jie Zhang, Kuan Ding, Shu Zhang, Shuaijun Wang, Shaobin Wang, Hongqi Sun
Summary: In this study, the concentration and position of sulfur vacancies in ultrathin ZnIn2S4 nanosheets were successfully controlled to optimize the photo-driven lignin model reforming process, leading to excellent selectivity for hydrogen and chemical monomers. The proton migration pathway was modulated through sulfur vacancy engineering, achieving high concentrations of sulfur vacancies in the bulk and on the surface of ZnIn2S4. This provides new mechanistic insights into biomass photoreforming and elucidates the structure/chemistry-catalysis correlation of ZnIn2S4 photocatalysts, which are crucial for photocatalyst design and solar fuel production.
Review
Energy & Fuels
Shuang Zhong, Zhong-Shuai Zhu, Hongyu Zhou, Shaobin Wang, Xiaoguang Duan
Summary: This article discusses the research progress of using wood-derived carbon materials for electrochemical treatment. Wood-derived carbon materials have the advantages of low cost, environmental friendliness, and outstanding electrochemical performance, making them suitable for green and renewable electro-Fenton systems. The article summarizes the application of wood-derived carbon materials in structural engineering and chemical modification, discusses the recent advances of wood-based electro-Fenton systems, and provides a roadmap for the future challenges and opportunities of scaling up wood-based electro-Fenton systems for practical water treatments.
Review
Energy & Fuels
Ying Chen, Yan Fu, Wenchao Peng, Shaobin Wang
Summary: This review summarizes the latest progress on coupled H-2 production with organic electro-oxidation systems. It discusses the selective oxidation of different organic compounds on the anodes to produce high value-added products and introduces complex coupling reactions. The challenges and prospects for the future development of this research field are also highlighted.
Article
Engineering, Environmental
Defenna Li, Cong Pan, Yang Zong, Deli Wu, Yaobin Ding, Chengjun Wang, Shaobin Wang, John C. Crittenden
Summary: In this study, Ru(III) ions were used to activate periodate (PI) for oxidation of trace organic pollutants (TOPs, such as carbamazepine (CBZ)). The Ru(III)/PI system showed significantly higher performance than other transition metal ions and noble metal ions activated PI systems in the oxidation of CBZ. The dominant oxidant in the process was high-valent Ru-oxo species (Ru(V)=O).
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2023)
Article
Engineering, Environmental
Yunpeng Wang, Zijun Xiao, Yulei Liu, Wenjie Tian, Zhuangsong Huang, Xiaona Zhao, Lu Wang, Shaobin Wang, Jun Ma
Summary: This study found that carbon quantum dots (CQDs) played a significant role in the water purification process using Fe(VI) as a catalyst. CQDs facilitated direct electron transfer (DET) from organic pollutants to Fe(VI), improving the oxidation efficiency and alleviating the negative impact of solution pH and background constituents.
Article
Engineering, Environmental
Yanshan Wang, Ning Li, Qinglong Fu, Zhanjun Cheng, Yingjin Song, Beibei Yan, Guanyi Chen, Li'an Hou, Shaobin Wang
Summary: This study comprehensively analyzed the molecular transformation behavior of dissolved organic matters (DOM) during peroxymonosulfate (PMS) activation by biochar for organic degradation. Different types of reactions were observed, including oxidative decarbonization, dehydrogenation, dehydration, deheteroatomisation, hydration, and N/S oxidation reactions. Certain compounds present in DOM showed moderate or strong inhibition effects on contaminant degradation. This information can be used to regulate ROS composition and DOM conversion process in PMS systems and minimize the interference of DOM conversion intermediates on PMS activation and degradation of target pollutants.
Article
Chemistry, Physical
Yanfen Fang, Dengyu Ying, Huibin Niu, Yan Xu, Shaobin Wang, Ran Duan, Huaiyong Zhu, Chaoyuan Deng, Chuncheng Chen, Yingping Huang
Summary: This study enhanced the manganese content of low-temperature manganese-rich biochar (Mn-BC) and clarified the activation mechanism of molecular oxygen (O-2) by Mn-BC. The Mn-III on MnBC-H5 activated O-2 under visible light, leading to effective organic degradation. This study provides a theoretical basis for developing environmentally friendly biochar-based catalysts and studying the environmental effects of biochar.
Article
Chemistry, Physical
Jingkai Lin, Yantao Wang, Wenjie Tian, Huayang Zhang, Hongqi Sun, Shaobin Wang
Summary: A series of macroporous carbon nitride-supported single-atom transition metal catalysts have been developed for solar light-driven photocatalytic gaseous NH3 splitting. The optimized Ni-MCN catalyst shows a high H-2 production rate due to the presence of Ni-N-4 sites, which improve the optical properties, accelerate charge carrier separation/transfer, and boost NH3 splitting kinetics. These findings provide valuable guidelines for the rational design of single-atom catalysts for energy- and cost-effective photocatalytic NH3 splitting.
Article
Chemistry, Physical
Jingkai Lin, Lin Jiang, Wenjie Tian, Yangyang Yang, Xiaoguang Duan, Yan Jiao, Huayang Zhang, Shaobin Wang
Summary: The relationship between the single-atom structure and catalytic activity in Fenton-like catalysis was investigated. Different molecular structures and a light-dependent mechanism were discovered. The Co-N1+3 configuration favored the formation and had higher catalytic activity, while the Co-N2+2 configuration had inferior catalytic activity and negative effects on the adjacent Co-N1+3 site. Additionally, a 100% nonradical reaction pathway that could be photo-switched to a nonradical/radical process by visible light was revealed. This work enriches the fundamentals of single-atom catalysis and provides new insights into the atomic metal structure, reaction pathways and mechanisms, and structure-activity relationships in organic degradation.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Review
Engineering, Environmental
Akbar Samadi, Zhuan Wang, Shaobin Wang, S. K. Nataraj, Lingxue Kong, Shuaifei Zhao
Summary: This review critically assesses PANI-based adsorbents in terms of their advantages, disadvantages, and separation mechanisms in pollutant removal. It highlights the significant roles of low-cost materials as well as emerging 2D nanosheets in enhancing the performance of PANI-based adsorbents.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Engineering, Chemical
Jinqiang Zhang, Xinyuan Xu, Lei Shi, Huayang Zhang, Shaobin Wang, Hongqi Sun
Summary: Biomass photoreforming is a promising avenue for green hydrogen production. By loading 2D ZnIn2S4 onto 2D carbon nitride nanosheets, Van der Waals heterojunctions are formed, resulting in optimal charge dynamics and intensified H2 generation.
CHEMICAL ENGINEERING SCIENCE
(2024)
Review
Chemistry, Physical
Hui Liu, Liangliang Han, Xiaoguang Duan, Hongqi Sun, Shaobin Wang, Jinqiang Zhang
Summary: Photothermal catalysis is a promising method for converting C1 feedstocks into valuable chemicals. This comprehensive review highlights the mechanism, design strategies for catalysts, and recent progress in photothermal catalytic C1 conversion.
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)
