Article
Engineering, Environmental
Xiaochen Cheng, Chenyang Duan, Pei Yang, Yongrui Pi, Hailiang Qi, Zhengkang Sun, Shihua Chen
Summary: The discharge of crystal violet wastewater poses severe harm to the natural environment and human health due to its toxicity and carcinogenicity. The adsorption characteristics and mechanism of crystal violet on magnetic nanoparticles decorated bacteria were investigated, including the kinetic, equilibrium, mass transfer mechanism, and site energy distribution analysis. The results showed that Fe3O4 @bacteria had a high adsorption capacity for crystal violet, exhibited good recycling ability, and effectively reduced COD in dyeing wastewater. The adsorption process followed the Temkin isotherm and Elovich and pseudo-second-order kinetics models, and the mass transfer mechanism was described by the IPD model.
PROCESS SAFETY AND ENVIRONMENTAL PROTECTION
(2023)
Article
Engineering, Chemical
Shang Yang, Feng Zhao, Qianqian Sang, Yuan Zhang, Le Chang, Dajian Huang, Bin Mu
Summary: Attapulgite modified with 3-aminopropyltriethoxysilane shows promising potential as an adsorbent for removing anionic dyes such as Congo red from water. The adsorption behavior of Congo red onto the modified Attapulgite was best described by pseudo-second-order and Sips models. The modified Attapulgite exhibited higher adsorption capability for Congo red due to the presence of more high-energy sites, with adsorption being more favorable at high temperature and in acidic environments. Additionally, the hydrophobic surface of the modified Attapulgite reduced surface tension and electrostatic interactions played a crucial role in the adsorption process.
Article
Engineering, Chemical
Hongxiang Xu, Shan Li, Jingzheng Wang, Jiushuai Deng, Gen Huang, Qun Sang, Jiahua Cui
Summary: A novel coking wastewater treatment technique based on the principles of the circular economy is proposed in this study. By utilizing coal as an adsorbent, the treated coal can be reintroduced into the coking system, creating a closed-loop system with zero wastewater emissions. Experimental results showed that both coking coal and anthracite exhibited favorable adsorption properties for the targeted contaminants. The study also investigated the rate-limiting step in the adsorption process and examined the effect of pH and activation energy on coal adsorption.
Article
Environmental Sciences
Ruotong Jin, Cailian Zhao, Yanxing Song, Xiaojie Qiu, Chenxi Li, Yingxin Zhao
Summary: Competitive adsorption and complementary adsorption were observed in the adsorption of sulfamethoxazole (SMX) and bisphenol A (BPA) on magnetic biochar (MBC-1) with ferric chloride modification. The adsorption process involved different interactions such as pore filling, hydrophobic effect, 7C-7C EDA, hydrogen bonding, electrostatic force, surface coordination, and ion exchange. BPA had a competitive advantage due to its superior hydrophobicity, charge property, and molecular diameter, while SMX was removed mainly through hydrophobic interaction and hydrogen bonding. Complementary adsorption was confirmed as the two solutes occupied their preferred adsorption sites.
ENVIRONMENTAL POLLUTION
(2023)
Article
Engineering, Environmental
Wei Wang, Ruiying Zhang, Zhenhua Liu, Wenxing Wang, Qingzhu Zhang, Qiao Wang
Summary: In this study, the formation mechanism of EPFRs from phenol on the gamma-Al2O3 surface was investigated using theoretical calculations. It was found that gamma-Al2O3 has strong catalytic activity for the formation of EPFRs. The introduction of ambient water changes the formation pattern and energy barrier of EPFRs, and the role of ambient water in catalytic dissociation reactions was clarified.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2022)
Article
Engineering, Chemical
Yingxin Zhao, Cailian Zhao, Ying Yang, Zhuoran Li, Xiaojie Qiu, Junzhi Gao, Min Ji
Summary: This study investigated the adsorption behavior and mechanism of sulfamethoxazole (SMX) on a volcanic rock mineral adsorbent (VR) with Polypyrrole (PPy) modification. The results showed that pore filling and hydrogen bonding were the main adsorption mechanisms for SMX removal by VR, while electrostatic attraction, pi-pi electron donor-acceptor interaction (pi-pi EDA) and ion exchange explained the adsorption distinction between PPy supported VR (PPy-VR) and VR, indicating the wide pH application potential of the modified sorbent. Additionally, the energy distribution analysis revealed that PPy-VR exhibited a stronger adsorption affinity and energy heterogeneity for SMX due to the introduction of pi-pi EDA and ion exchange. The surface modification method provides a feasible idea for improving the application environment of adsorbents, and the analysis of site energy distribution promotes the understanding of the connection between site energy and adsorption mechanism.
SEPARATION AND PURIFICATION TECHNOLOGY
(2022)
Article
Physics, Multidisciplinary
Anton Robert, Helene Berthoumieux, Marie-Laure Bocquet
Summary: We calculate the adsorption profiles of ionic free energy at an aqueous graphene interface using a self-consistent approach. We develop a microscopic model for water and treat the liquid and graphene on equal footing. By progressively evaluating the electronic and dipolar coupled electrostatic interactions, we demonstrate that including mutual graphene and water screening allows us to recover the precision of extensive quantum simulations remarkably. We also derive the potential of mean force evolution for several alkali cations.
PHYSICAL REVIEW LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Mihui Park, Seonyong Cho, Junghoon Yang, Vincent Wing-hei Lau, Kwang Hee Kim, Jong Hyeok Park, Stefan Ringe, Yong-Mook Kang
Summary: The use of heterogeneous catalysts as substrates can regulate the growth of Li2O2 and the formation of solid/solid reaction interfaces, improving the reversibility, capacity, and durability of lithium-oxygen batteries.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Review
Environmental Sciences
Qili Hu, Rui Lan, Liru He, Hengyuan Liu, Xiangjun Pei
Summary: This article summarizes the importance of quantitatively describing the equilibrium data using isotherm models in adsorption studies and highlights the neglect of curve characteristics, selection criteria, and common controversies in previous review papers. The main topics covered in this review include the effect of model parameters on the isotherm curves, determination of site energy distribution, selection criteria for isotherm models, and elimination of common controversies.
JOURNAL OF ENVIRONMENTAL MANAGEMENT
(2023)
Article
Chemistry, Multidisciplinary
Bo Zhang, Zhuoran Huang, Ping Liu, Jin Liu, Min Gu
Summary: This study prepared a series of granular activated carbon (GAC) samples with similar surface chemical properties but different pore structures from anthracite. It was found that the pore size distribution was the decisive factor affecting the concentrating effect of CH4 or CO2 by GAC.
KOREAN JOURNAL OF CHEMICAL ENGINEERING
(2022)
Article
Engineering, Mechanical
Hongxiang Yu, Haijie Chen, Zhiwen Zheng, Dan Qiao, Dapeng Feng, Zhenbin Gong, Guojun Dong
Summary: This study investigated the influence of functional groups on the tribological performances of lubricants using nine organic compounds as model lubricants. It was found that nonanoic acid with carboxyl showed the best lubrication properties, exhibiting a low friction coefficient and wear rate. Density functional theory (DFT) calculations revealed a positive correlation between low friction coefficient and high adsorption energy. Lubricant molecules with high adsorption energy tended to adsorb on substrates, maintaining a regular molecular brush structure during friction. Additionally, lubricant molecules with high surface energy were more prone to tribochemical reactions, resulting in the formation of a protective tribofilm and reduced wear rate.
Article
Chemistry, Physical
Bella L. Grigorenko, Tatiana Domratcheva, Igor Polyakov, Alexander Nemukhin
Summary: The role of protonation states of the chromophore and its neighboring amino acid side chains in the reversibly switching fluorescent protein rsEGFP2 upon photoswitching was characterized by molecular modeling methods. It was found that the conformations and protonation forms of Glu223 and His149 side chains in the chromophore-binding site play an essential role in stabilizing specific protonation forms of the chromophore.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Environmental Sciences
Wei Liu, Tao Lin, Xue Zhang, Fuchun Jiang, Xiaoshu Yan, Han Chen
Summary: In this study, we investigated the role of nanobubbles in the adsorption process of perfluoroalkyl acids (PFAAs) using a chitosan/granular activated carbon composite adsorbent. Our findings showed that nanobubbles can enhance the removal rate of PFAAs, and PFAAs with different chain lengths have different adsorption mechanisms. Longer chain PFAAs can be directly enriched on the composite adsorbents, while electrostatic interactions primarily affect the adsorption of shorter chain PFAAs.
Article
Multidisciplinary Sciences
Pushkar G. Ghanekar, Siddharth Deshpande, Jeffrey Greeley
Summary: This paper presents a catalyst surface model called ACE-GCN, which takes into account various atomic configurations and successfully describes the influence of atomic-scale factors in heterogeneous catalytic reactions. The use of this model accelerates the development of rigorous descriptions of catalyst surfaces under in-situ conditions.
NATURE COMMUNICATIONS
(2022)
Article
Environmental Sciences
Yongzheng Tang, Wenpeng Jia, Mutai Bao, Shengyao Qiu, YongRui Pi, Chongfeng Liu, Jinchen Zhao
Summary: This study discusses the application of a bacteria-based microrobot for the removal of fluoroquinolones (FQs) in marine culture tailwater. The experimental results show that the magnetic microrobot has good adsorption capacities for norfloxacin (NOR) and levofloxacin (LEV), and the adsorption process can be described by the Langmuir isotherm and Elovich kinetic models. The study also demonstrates the heterogeneous surface of the microrobot and the physical-chemical nature of NOR and LEV adsorption. Therefore, the magnetic microrobot can be a new-style green bio-adsorbent for the inexpensive and effective removal of NOR and LEV from mariculture.
FRONTIERS IN MARINE SCIENCE
(2023)