Article
Chemistry, Physical
Zhonghua Liu, Famin Yu, Rui Wang, Wanrong Huang, Rui-Qin Zhang, Yan Xue, Zhigang Wang
Summary: Due to the limited variety of natural atoms and the preparation of nanoparticles with low size polydispersity, it is still a challenge to adjust the interesting properties of graphene at the atomic level by changing its interlayer spacing. However, this study demonstrates that superatoms can provide adjustable and stable intercalation units between graphene layers, allowing effective control of the interlayer distance. This suggests that superatoms have significant potential in membrane separation applications.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Chen Chen, Fang Huang, Lingjie Jia, Li Zhang, Eryu Chen, Lijun Liang, Zhe Kong, Xinping Wang, Wei Zhang, Jia-Wei Shen
Summary: This study investigates the effect of interlayer spacing and hydrophilicity on the desalination performance of multilayer graphene-based membranes. It was found that water flux increased with decreasing hydrophilicity, and rejection rate was mainly determined by the effective distance of interlayer spacing.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Engineering, Environmental
Longlu Wang, Feiran Zhang, Ning Sun, Lingbin Xie, Ting Zhi, Qingfeng Zhang, Zhongzhong Luo, Xia Liu, Shujuan Liu, Qiang Zhao
Summary: This study presents a novel approach to enhance catalytic hydrogen evolution reaction (HER) by synthesizing IE@IDs-MoS2 nanosheets with interlayer-expanded nanochannels and interlayer dislocations. The IE@IDs-MoS2 nanosheets exhibit extraordinary kinetic metrics for electrocatalytic HER, providing fresh insights for developing effective catalysts.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Environmental Sciences
Sara Taghavi Kalajahi, Soheil Rezazadeh Mofradnia, Fatemeh Yazdian, Behnam Rasekh, Jaber Neshati, Lobat Taghavi, Mehrab Pourmadadi, Bibi Fatemeh Haghirosadat
Summary: The study demonstrated that graphene oxide/silver nanostructure (GO-Ag) has a significant inhibitory effect on the corrosion of steel in the presence of sulfate reducing bacteria (SRB), with up to 84% reduction of weight loss and 98% reduction of corrosion current density after 7 days of incubation. Molecular dynamic (MD) simulations showed that GO-Ag molecules effectively bonded with Fe molecules on the steel surface, preventing corrosive agents from accessing the steel surface.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2022)
Article
Materials Science, Multidisciplinary
Shuai Pang, Daoling Peng, Yuwei Hao, Bo Song, Xiqi Zhang, Lei Jiang
Summary: Nanoconfinement effect has a significant impact on chemical reactivity. Chemists have designed various porous nanoconfined systems for catalyzing reactions, but achieving effective flow reactions under mild conditions remains challenging. In this study, multilayer aminated graphene oxide (GO-NH2) membranes were prepared to achieve rapid and efficient Knoevenagel condensation with directional flow. By reducing the interlayer spacing of GO-NH2 membranes, the conversion of the reaction increased, reaching nearly 100% at 22 degrees Celsius with a short reaction time when the interlayer spacing was 14.7 angstroms. Mechanistic studies showed that interlayer confinement enhanced the matching of reactants' frontier orbital symmetry. The characterization of catalysts and density functional theory calculation demonstrated that the delocalized pi electrons of graphitic domains on GO-NH2 could reduce the overall confined reaction energy level. This work provides insights for constructing artificial catalytic systems with high conversion under mild conditions.
Article
Energy & Fuels
Maimoona Sharif, Huifeng Fan, Xiaomei Wu, Yunsong Yu, Tingting Zhang, Zaoxiao Zhang
Summary: Mixed amine solvents are being studied for CO2 capture due to their faster absorption kinetics and lower regenerating potential. This research investigates the diffusivity and intermolecular interaction intensity of various amines and suggests their use in a mixed solvent. The findings provide valuable information for evaluating fluid dynamics and designing the height of the absorption column.
Article
Chemistry, Physical
Shubhankar Sarkar, Nanda Kumar Ghosh
Summary: This study investigates the effect of temperature and Ag nanoparticles volume fraction on thermophysical properties such as thermal conductivity (TC), viscosity, and specific heat in Ethylene Glycol (EG) base fluid using molecular dynamics simulation. The results show that the diffusive qualities of nanoparticles relative to the fluid play a role in changing the characteristics of the fluid. The TC of the base fluid increases with temperature, and the enhancement of relative TC to the base fluid is due to the reduction of condensation around the nanoparticle. Viscosity increases with volume fraction but decreases with temperature. Non-linear increment of TC and viscosity with volume fraction is observed, consistent with different models. The study also investigates the mechanism of thermal conductivity enhancement through mean square displacement (MSD) calculation and the local structure and organization through radial distribution functions (RDFs).
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Shaohui Guo, Yuanyuan Zhang, Songwei Tang, Bilin Wang, Yijin Wang, Yaru Song, Xu Xin, Youzi Zhang, Xuanhua Li
Summary: The study investigates the impact of different interlayer distances on the optical and electrical properties of MoS2, revealing that MoS2-1.12 exhibits superior light absorption capability and electron transfer performance, leading to better photocatalytic hydrogen evolution reaction performance.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Engineering, Environmental
Jun Gong, Zheye Zhang, Shibo Xi, Wenjun Wang, Jianmei Lu, Peng Chen
Summary: Interlayer engineering is crucial for enhancing the performance of two-dimensional materials in catalysis. In this study, GQD/Co-MoS2 was successfully synthesized and showed excellent long-term stability and catalytic performance. The outstanding performance can be attributed to the enlarged interlayer spacing and electronic coupling at the van der Waals heterojunctions between GQDs and Co-doped MoS2.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Construction & Building Technology
Quan Liu, Ruiyu Fang, Jiantao Wu, Wenhao Cha, Pengfei Liu
Summary: This study investigates the influence of SARA fractions on the simulated properties of bitumen. The results show that SARA fractions do not significantly affect the density and radial distribution function of bitumen models, but have a pronounced influence on the equilibrium of dynamic sampling. The correlation between selfdiffusion coefficient (SDC) and asphaltene index varies depending on the value of the asphaltene index.
CONSTRUCTION AND BUILDING MATERIALS
(2023)
Article
Physics, Multidisciplinary
Ya-Xin Zhao, Xiao-Feng Zhou, Yu Zhang, Lin He
Summary: It has been found that applying a scanning tunneling microscopy (STM) tip pulse on twisted bilayer graphene can induce sub-angstrom fluctuations in the interlayer separation, leading to changes in the physical properties of the van der Waals structures.
PHYSICAL REVIEW LETTERS
(2021)
Article
Chemistry, Physical
N. Atamas, D. Gavryushenko, K. S. Yablochkova, M. M. Lazarenko, G. Taranyik
Summary: The study reveals that there are two diffusion regimes for water molecule motion in the physiologically important temperature range, and the temperature dependence of water dynamics is not linear, indicating a change in the diffusion mechanism of water molecules.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Thermodynamics
Motahareh Gazmeh, Maryam Khajenoori, Sadegh Yousefi-Nasab
Summary: In this study, the solubility of curcumin in pressurized hot water (PHW) was determined by static method, and molecular dynamics simulation was performed to predict its solubility behavior. The simulation results showed that the solubility of curcumin in PHW increases with temperature and the diffusion coefficients of curcumin also increase with temperature. The simulations also revealed that water molecules tend to surround curcumin molecules more at higher temperatures. The experimental and simulated results had an average absolute relative deviation of 9.07% and 7.85% for solubility and density data, respectively. Thus, molecular dynamics simulation method successfully predicted the solubility behavior of curcumin in PHW.
INTERNATIONAL COMMUNICATIONS IN HEAT AND MASS TRANSFER
(2023)
Article
Chemistry, Physical
Shuang Chen, Yong Pan
Summary: The effect of interlayer spacing on the catalytic properties of MoS2 has been systematically investigated. The expansion of interlayer spacing is found to enhance the catalytic hydrogen evolution of MoS2 under certain hydrogen coverages. Controllable tuning of the catalytic properties of MoS2 can be achieved by adjusting the interlayer spacing. The enhanced effect of interlayer expansion is attributed to the increased occupancy density of partially occupied antibonding orbitals near the Fermi level of Mo atoms, which enhances electron transfer.
APPLIED SURFACE SCIENCE
(2022)
Article
Materials Science, Multidisciplinary
Hoa Thi Bui, Do Chi Linh, Lam Duc Nguyen, HyungIl Chang, Supriya A. Patil, Nabeen K. Shrestha, Khuyen Xuan Bui, Tung Son Bui, Thi Ngoc Anh Nguyen, Nguyen Thanh Tung, Sung-Hwan Han, Pham Thy San
Summary: In this study, MoS2@graphene heterostructures were developed as a promising catalyst for hydrogen evolution reaction. The catalyst exhibits superior activity and long-term durability.
JOURNAL OF MATERIALS SCIENCE
(2022)
Article
Chemistry, Applied
Wei Tan, Jin Wang, Yandi Cai, Lulu Li, Shaohua Xie, Fei Gao, Fudong Liu, Lin Dong
Summary: This study proposes a new strategy of Mo doping to improve the low-temperature SCR activity of CeSi2. A Mo-Ce-Si mixed-oxide catalyst was prepared by a simple co-precipitation method. Mo doping significantly enhances the NH3-SCR activity of CeSi2 and exhibits superior N2 selectivity and resistance to SO2/H2O poisoning.
Article
Chemistry, Multidisciplinary
Wang Song, Jiawei Ji, Kai Guo, Xin Wang, Xiaoqian Wei, Yandi Cai, Wei Tan, Lulu Li, Jingfang Sun, Changjin Tang, Lin Dong
Summary: CeO2/TiO2 catalysts prepared by solid-phase impregnation showed better catalytic activity in low-temperature selective catalytic reduction of NOx with NH3. Surface changes of TiO2 were found to have a significant impact on the improved activity.
CHINESE CHEMICAL LETTERS
(2022)
Article
Chemistry, Applied
Lulu Li, Jiawei Ji, Wei Tan, Wang Song, Xin Wang, Xiaoqian Wei, Kai Guo, Wanyu Zhang, Changjin Tang, Lin Dong
Summary: In this work, a supported catalyst consisting of FeOx and MnOx co-supported on aluminum-modified CeO2 was synthesized and applied in the low-temperature NH3-selective catalytic reduction (NH3-SCR) of NO. The study revealed that the SCR activity of the catalyst was significantly influenced by the amount of added aluminum and the appropriate Ce/Al molar ratio. The Fe-Mn/Ce1Al2 catalyst exhibited over 90% NO conversion at a temperature range of 75-250 degrees Celsius and displayed better resistance to SO2 compared to FeeMn/CeO2.
JOURNAL OF RARE EARTHS
(2022)
Article
Chemistry, Physical
Liyan Liu, Gu Shuo, Jingbo Chen, Zhiguo Wang, Wen Du, Bingbing Li
Summary: This study reports the density and surface tension of binary mixtures of 1,2-propylene glycol and glycerol at different temperatures. Other properties of the mixture were also calculated. The experimental data was mathematically correlated using the Jouyban-Acree model, and the accuracy of the model was verified. The results showed that the model has high accuracy and can be applied to the production and application of pharmaceutical and liquid industrial products.
PHYSICS AND CHEMISTRY OF LIQUIDS
(2022)
Article
Chemistry, Physical
Shaohua Xie, Wei Tan, Yuejin Li, Lu Ma, Steven N. Ehrlich, Jiguang Deng, Peng Xu, Fei Gao, Lin Dong, Fudong Liu
Summary: In this study, an efficient NbCuCe oxide catalyst for reducing NOx emissions in cold-start diesel engines is reported. The catalyst exhibits higher DeNO(x) activity below 200 degrees C compared to the Cu-CHA zeolite catalyst, along with superior sulfur resistance, faster response, and lower NH3 slip. Atomically dispersed Cu species facilitate strong interaction between Cu and the Nb/Ce base catalyst, leading to improved low-temperature redox properties and NH3 adsorption/activation. The developed NbCuCe catalyst shows promising potential for efficient DeNO(x) in cold-start diesel engines and can be combined with Cu-CHA for a broader temperature range of operation.
Article
Engineering, Mechanical
Shengzan Zhang, Liyan Liu, Xu Ma, Guorui Zhu, Wei Tan
Summary: This study aims to investigate the influence of temperature on the fretting wear behavior of 316 SS and analyze the formation mechanism and properties of the third body layer (TBL).
Article
Chemistry, Multidisciplinary
Shaohua Xie, Liping Liu, Yu Lu, Chunying Wang, Sufeng Cao, Weijian Diao, Jiguang Deng, Wei Tan, Lu Ma, Steven N. Ehrlich, Yaobin Li, Yan Zhang, Kailong Ye, Hongliang Xin, Maria Flytzani-Stephanopoulos, Fudong Liu
Summary: The local coordination structure of metal sites plays a crucial role in the performance of supported metal catalysts. This study successfully fabricated Pt atomic single-layer structures with precisely controlled local coordination environment, which exhibited higher turnover frequency and improved catalytic activity in CO oxidation. This work provides new insights for achieving 100% atomic utilization efficiency and optimal intrinsic catalytic activity.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Engineering, Chemical
Zhiping Shi, Bin Ran, Liyan Liu
Summary: This study determines the interaction energy of fine particles at different pH levels and provides a framework for improving the solid-liquid separation performance of clay-rich tailings.
Article
Chemistry, Physical
Wei Tan, Shaohua Xie, Xin Wang, Juntian Xu, Yong Yan, Kaili Ma, Yandi Cai, Kailong Ye, Fei Gao, Lin Dong, Fudong Liu
Summary: In this study, an efficient CuO catalyst supported on a CeO2-Al2O3 support (CA-T) prepared by two-step incipient wetness impregnation (T-IWI) method was successfully developed. The Cu/CA-T catalyst exhibited better catalytic performance in CO oxidation and NO reduction by CO (NO + CO reaction) as well as higher thermal stability compared to the CuO catalyst loaded on conventional CeO2-Al2O3 support (Cu/CA). The microstructure of CuO-CeO2-Al2O3 catalysts, especially the state of Cu species, was systematically investigated using various characterization techniques. The mechanisms of CO oxidation and NO + CO reactions on Cu/CA and Cu/CA-T catalysts were collaboratively revealed.
Article
Chemistry, Multidisciplinary
Qinglong Liu, Peng Yang, Wei Tan, Haowei Yu, Jiawei Ji, Cong Wu, Yandi Cai, Shaohua Xie, Fudong Liu, Song Hong, Kaili Ma, Fei Gao, Lin Dong
Summary: The size effect on nanoparticles plays a crucial role in catalysis performance. Tuning the oxygen vacancies on a metal-oxide support can help reduce the size of Pt particles, thus improving the catalysis performance of the supported catalyst. In this study, Ce-Sn solid solutions (CSO) with abundant oxygen vacancies were synthesized. After CO reduction, the catalytic CO oxidation performance of Pt/CSO was significantly better than that of Pt/CeO2. This improvement was attributed to the creation of smaller Pt clusters on CSO with more exposed active sites.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Physical
Zhiping Shi, Pengxiang Li, Liyan Liu
Summary: This study aimed to investigate the interactions between CTAB, a cationic surfactant, and montmorillonite through experiments and molecular simulation. The results showed that the addition of CTAB improved the dewatering of clay-rich tailings by reducing surface tension, increasing particle hydrophobicity, and charge neutralization. AFM and molecular simulation results further confirmed the attraction between montmorillonite particles and the enhanced hydrophobicity of the montmorillonite surface.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2023)
Article
Engineering, Mechanical
Shengzan Zhang, Ce Tian, Liyan Liu, Wei Tan
Summary: Steam generator tubes made of Inconel 690 alloy are subject to flow-induced vibration and are operated in high-temperature and high-pressure water/steam environment. This leads to significant synergistic damage from fretting wear and corrosion. To study the synergistic damage mechanism, a flow-induced vibration wear simulation method was used to investigate the wear behavior of 690 alloy tubes against 304 SS plates in steam/water environment at different temperatures. Results show that fretting wear damage decreases with temperature in water environment, but reaches a minimum value at 200 degrees C in steam environment before increasing to a maximum value at 285 degrees C. The mechanism of synergistic damage between wear and corrosion was analyzed, showing that wear can damage the material surface and promote oxidation, while the formed oxide layer can either protect the surface or promote wear damage depending on its characteristics influenced by the environment.
JOURNAL OF TRIBOLOGY-TRANSACTIONS OF THE ASME
(2023)
Article
Engineering, Environmental
Zedong Wang, Zhiping Shi, Liyan Liu
Summary: This study simulated the scale-up design of a bath-type sonoreactor by considering the inhomogeneous bubble distribution using a linearized wave equation. Validation experiments confirmed the accuracy of the model in predicting abnormal attenuation phenomena during sound wave transmission, which poses challenges for optimizing sonoreactor design.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Thermodynamics
Jiantong Li, Bingbing Li, Shuo Gu, Wen Du, Liyan Liu
Summary: Capillary evaporation is an effective mass transfer strategy that can be guided by equations involving environmental and physical parameters. An experiment was conducted to determine the evaporation rates of PG-VG binary mixtures under different molar ratios and tube diameters, and a computational model combining environmental and physical parameters was developed to predict the evaporation rates with an average error of less than 15% compared to experimental data. The total evaporation rate increases with the increase of tube diameter, while the evaporation rate per unit area decreases. The evaporation temperature and the proportion of the light component are related to superheat and Marangoni convection, and the Ma number shows a positive correlation with the total evaporation rate. The method and results of this study provide guidance and data reference for investigating capillary evaporation characteristics of binary mixtures.
HEAT AND MASS TRANSFER
(2023)
Article
Engineering, Chemical
Zhiping Shi, Liyan Liu
Summary: Filtration rate and water content are important indicators in tailings solid-liquid separation processes, and the pore structure of the filter cake plays a crucial role in determining these outcomes. This study investigates the effect of different filter aids on the filter cake characteristics and explains the mechanism of surface wettability regulation and flocculation on the pore structure using X-ray microtomography. The results show that the filtration rate and water content of the kaolinite filter cake can be improved by using specific filter aids, resulting in enhanced pore connectivity and increased filtration speed and efficacy.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)