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Conductive and stable polyphenylene/CNT composite membrane for electrically enhanced membrane fouling mitigation

Frontiers of Environmental Science & Engineering 2024年第1期18卷 35-47页

作者： Huijuan xie Haiguang Zhang Xu Wang Gaoliang Wei Shuo Chen xie quan Key Laboratory of Industrial Ecology and Environmental Engineering(Ministry of Education) School of Environmental Science and TechnologyDalian University of TechnologyDalian 116024China

Nanocarbon-based conductive membranes, especially carbon nanotube (CNT)-based membranes, have tremendous potential for wastewater treatment and water purification because of their excellent water permeability and selectivity, as well as their electrochemically enhanced performance (e.g., improved antifouling ability). However, it remains challenging to prepare CNT membranes with high structural stability and high electrical conductivity. In this study, a highly electroconductive and structurally stable polyphenylene/CNT (PP/CNT) composite membrane was prepared by electropolymerizing biphenyl on a CNT hollow fiber membrane. The PP/CNT membrane showed 3.4 and 5.0 times higher electrical conductivity than pure CNT and poly(vinyl alcohol)/CNT (PVA/CNT) membranes, respectively. The structural stability of the membrane was superior to that of the pure CNT membrane and comparable to that of the PVA/CNT membrane. The membrane fouling was significantly alleviated under an electrical assistance of −2.0 V, with a flux loss of only 11.7% after 5 h filtration of humic acid, which is significantly lower than those of PP/CNT membranes without electro-assistance (56.8%) and commercial polyvinylidene fluoride (PVDF) membranes (64.1%). Additionally, the rejection of negatively charged pollutants (humic acid and sodium alginate) was improved by the enhanced electrostatic repulsion. After four consecutive filtration-cleaning cycle tests, the flux recovery rate after backwashing reached 97.2%, which was much higher than those of electricity-free PP/CNT membranes (67.0%) and commercial PVDF membranes (61.1%). This study offers insights into the preparation of stable conductive membranes for membrane fouling control in potential water treatment applications.

关键词： Polyphenylene CNTs Membrane Electro-assistance Membrane fouling mitigation

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Application of supervised machine learning to predict the enhanced gas recovery by CO2 injection in shale gas reservoirs

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Petroleum 2024年第1期10卷 124-134页

作者： Moataz Mansi Mohamed Almobarak Jamiu Ekundayo Christopher Lagat quan xie Discipline of Petroleum Engineering WA School of Mines: Minerals Energy and Chemical Engineering Curtin University

The technique of Enhanced Gas Recovery by CO2injection（CO2-EGR） into shale reservoirs has brought increasing attention in the recent decade. CO2-EGR is a complex geophysical process that is controlled by several parameters of shale properties and engineering design. Nevertheless, more challenges arise when simulating and predicting CO2/CH4displacement within the complex pore systems of shales. Therefore,the petroleum industry is in need of developing a cost-effective tool/approach to evaluate the potential of applying CO2injection to shale reservoirs. In recent years, machine learning applications have gained enormous interest due to their high-speed performance in handling complex data and efficiently solving practical problems. Thus, this work proposes a solution by developing a supervised machine learning（ML） based model to preliminary evaluate CO2-EGR efficiency. Data used for this work was drawn across a wide range of simulation sensitivity studies and experimental investigations. In this work, linear regression and artificial neural networks（ANNs） implementations were considered for predicting the incremental enhanced CH4. Based on the model performance in training and validation sets, our accuracy comparison showed that（ANNs） algorithms gave 15% higher accuracy in predicting the enhanced CH4compared to the linear regression model. To ensure the model is more generalizable, the size of hidden layers of ANNs was adjusted to improve the generalization ability of ANNs model. Among ANNs models presented, ANNs of 100 hidden layer size gave the best predictive performance with the coefficient of determination（R2） of 0.78 compared to the linear regression model with R2of 0.68. Our developed MLbased model presents a powerful, reliable and cost-effective tool which can accurately predict the incremental enhanced CH4by CO2injection in shale gas reservoirs.

关键词： Artificial intelligence Supervised Machine Learning Shale Gas Enhanced Shale Gas Recovery CO 2 Injection CO 2 sequestration

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Enhanced electrochemical oxidation of perfluorooctanoic acid on Ti/SnO_(2)-Sb electrode by surface morphology regulation

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Chinese Chemical Letters 2024年第3期35卷 140-143页

作者： Kaiqiang Hou Genwang Zhu Yujie Feng Yanming Liu xie quan Key Laboratory of Industrial Ecology and Environmental Engineering(Ministry of Education China)School of Environmental Science and TechnologyDalian University of TechnologyDalian 116024China State Key Laboratory of Urban Water Resource and Environment School of EnvironmentHarbin Institute of TechnologyHarbin 150090China

Electrochemical oxidation is an effective method to degrade persistent organic ***,due to the limited catalytic activity of traditional thin film electrodes,the anodic oxidation process is slow and usually requires high energy ***,Ti/SnO_(2)-Sb electrode with regulated surface structure was reported to enhance the performance for electrochemical oxidation of persistent organic *** electrode deposited with SnO_(2)-Sb nanoneedles(Ti/N-SnO_(2)-Sb)showed higher oxidation *** kinetic constant for perfluorooctanoic acid(PFOA)oxidation was 2.0 h^(-1)and the total organic carbon removal rate was 81.7%(4 h)at a relatively low current density of 6 mA/cm^*** with Ti/SnO_(2)-Sb thin film and nanoparticles,Ti/N-SnO_(2)-Sb significantly improved the electrochemical active area and·OH yield,and simultaneously reduced the electron transfer resistance,which enabled it to oxidize PFOA more rapidly even at a lower *** work provides a new strategy for promoting the electrochemical oxidation performance.

关键词： Electrochemical oxidation Nanoneedle SnO_(2)-Sb Perfluoroalkyl compounds Electrochemical degradation Persistent organic pollutants

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Experimental and numerical study on protective effect of RC blast wall against air shock wave

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Defence Technology（防务技术） 2024年第1期31卷 567-579页

作者： Xin-zhe Nian quan-min xie Xin-li Kong Ying-kang Yao Kui Huang State Key Laboratory of Precision Blasting Jianghan UniversityWuhan430056China Hubei Key Laboratory of Blasting Engineering Jianghan UniversityWuhan430056China Hubei(Wuhan)Institute of Explosion and Blasting Technology Jianghan UniversityWuhan430056China College of Defense Engineering Army Engineering University of PLANanjing210007China Institute of Defense Engineering AMSPLALuoyang471023China

Prototype experiments were carried out on the explosion-proof performance of the RC blast *** mass of TNT detonated in the experiments is 5 kg and 20 kg *** shock wave overpressure was tested in different *** above experiments were numerically simulated,and the simulated shock wave overpressure waveforms were compared with that tested and given by CONWEP *** results show that the numerically simulated waveform is slightly different from the test waveform,but similar to CONWEP *** dimensional analysis and numerical simulation under different working conditions,the equation for the attenuation rate of the diffraction overpressure behind the blast wall was *** to the corresponding standards,the degree of casualties and the damage degree of the brick concrete building at a certain distance behind the wall can be determined when parameters are *** above results can provide a reference for the design and construction of the reinforced concrete blast wall.

关键词： Blast wall Shock wave Diffraction Overpressure Protection

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Graphene effectively activating "dead" water molecules between manganese dioxide layers in potassium-ion battery

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Journal of Energy Chemistry 2024年第6期93卷 306-315,I0008页

作者： Xinhai Wang Wensheng Yang Shengshang Lu Shangshu Peng Tong Guo quan xie Qingquan Xiao Yunjun Ruan Institute of Advanced Optoelectronic Materials and Technology College of Big Data and Information EngineeringGuizhou UniversityGuiyang 550025GuizhouChina

Aqueous potassium-ion batteries(APIBs),recognized as safe and reliable new energy devices,are considered as one of the alternatives to traditional *** MnO_(2),serving as the main cathode,exhibits a lower specific capacity in aqueous electrolytes compared to organic systems and operates through a different reaction *** application of highly conductive graphene may effectively enhance the capacity of APIBs but could complicate the potassium storage *** this study,a MnO_(2) cathode pre-intercalated with K~+ions and grown on graphene(KMO@rGO) was developed using the microwave hydrothermal method for ***@rGO achieved a specific capacity of 90 mA h g^(-1) at a current density of 0.1 A g^(-1),maintaining a capacity retention rate of>90% after 5000 cycles at 5 A g^(-1).In-situ and exsitu characterization techniques revealed the energy-storage mechanism of KMO@rGO:layered MnO_(2)traps a large amount of "dead" water molecules during K~+ions ***,the introduction of graphene enables these water molecules to escape during K~+ ions insertion at the *** galvanostatic intermittent titration technique and density functional theory confirmed that KMO@rGO has a higher K~+ions migration rate than MnO_(2).Therefore,the capacity of this cathode depends on the interaction between dead water and K~+ions during the energy-storage *** optimal structural alignment between layered MnO_(2) and graphene allows electrons to easily flow into the external *** charge compensation forces numerous low-solvent K~+ions to displace interlayer dead water,enhancing the *** unique reaction mechanism is unprecedented in other aqueous battery studies.

关键词： Graphene K-ion batteries Mn-based layered oxide Water molecules Density functional theory

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Chemical-assisted MMP reduction on methane-oil systems:Implications for natural gas injection to enhanced oil recovery

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Petroleum 2024年第1期10卷 101-108页

作者： Mohamed Almobarak Matthew B.Myers Colin D.Wood Yongbing Liu Ali Saeedi quan xie Discipline of Petroleum Engineering WA School of Mines: Minerals Energy and Chemical Engineering Curtin University Commonwealth Scientific and Industrial Research Organization Curtin University Oil and Gas Innovation Centre Management State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation

Miscible natural gas injection is widely considered as a practical and efficient enhanced oil recovery technique. However, the main challenge in this process is the high minimum miscibility pressure（MMP）between natural gas and crude oil, which limits its application and recovery factor, especially in hightemperature reservoirs. Therefore, we present a novel investigation to quantify the effect of chemicalassisted MMP reduction on the oil recovery factor. Firstly, we measured the interfacial tension（IFT） of the methane-oil system in the presence of chemical or CO2to calculate the MMP reduction at a constant temperature（373K） using the vanishing interfacial tension（VIT） method. Afterwards, we performed three coreflooding experiments to quantify the effect of MMP reduction on the oil recovery factor under different injection *** interfacial tension measurements show that adding a small fraction（1.5 wt%） of the tested surfactant（SOLOTERRA ME-6） achieved 9% of MMP reduction, while adding 20 wt% of CO2to the methane yields 13% of MMP reduction. Then, the coreflooding results highlight the significance of achieving miscibility during gas injection, as the ultimate recovery factor increased from 65.5% under immiscible conditions to 77.2% using chemical-assisted methane, and to 79% using gas mixture after achieving near miscible condition. The results demonstrate the promising potential of the MMP reduction to significantly increase the oil recovery factor during gas injection. Furthermore, these results will likely expand the application envelop of the miscible gas injection, in addition to the environmental benefits of utilizing the produced gas by re-injection/recycling instead of flaring which contributes to reducing the greenhouse gas emissions.

关键词： Gas injection Enhanced oil recovery Miscibility Coreflooding

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Effects of vacancy and external electric field on the electronic properties of the MoSi_(2)N_(4)/graphene heterostructure

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Chinese Physics B 2024年第3期33卷 542-550页

作者：梁前罗祥燕钱国林王远帆梁永超谢泉 College of Big Data and Information Engineering Institute of New Optoelectronic Materials and TechnologyGuizhou UniversityGuiyang 550025China

Recently,the newly synthesized septuple-atomic layer two-dimensional(2D)material MoSi_(2)N_(4)(MSN)has attracted attention *** work delves into the effect of vacancies and external electric fields on the electronic properties of the MSN/graphene(Gr)heterostructure using first-principles *** find that four types of defective structures,N-in,N-out,Si and Mo vacancy defects of monolayer MSN and MSN/Gr heterostructure are stable in ***,vacancy defects can effectively modulate the charge transfer at the interface of the MSN/Gr heterostructure as well as the work function of the pristine monolayer MSN and MSN/Gr ***,the application of an external electric field enables the dynamic switching between n-type and p-type Schottky *** work may offer the possibility of exceeding the capabilities of conventional Schottky diodes based on MSN/Gr heterostructures.

关键词： MoSi_(2)N_(4) vacancy defects external electric field Schottky contacts

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二维MoSi_(2)N_(4)/WSe_(2)异质结的第一性原理研究

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原子与分子物理学报 2024年第2期41卷 87-92页

作者：梁前谢泉贵州大学大数据与信息工程学院新型光电子材料与技术研究所贵阳550025

实验上新合成的MoSi_(2)N_(4)(MSN)由于其独特的七原子层结构和电子特性引起了人们的广泛关注.本文搭建了一种由二维MSN与二维WSe_(2)(WS)垂直堆垛而成的二维MSN/WS异质结并基于第一性原理计算对其电子性质进行了计算,其表现出直接间隙... 详细信息

实验上新合成的MoSi_(2)N_(4)(MSN)由于其独特的七原子层结构和电子特性引起了人们的广泛关注.本文搭建了一种由二维MSN与二维WSe_(2)(WS)垂直堆垛而成的二维MSN/WS异质结并基于第一性原理计算对其电子性质进行了计算,其表现出直接间隙半导体和I型能带排列的特性,具有1.46 eV的带隙.在异质结界面处存在一个由电荷耗尽层MSN指向电荷积累层WS微弱的内建电场.最后,通过施加双轴应变对二维MSN/WS异质结进行调控.发现在正双轴应变的作用下,MSN/WS异质结保持了原来直接带隙半导体和I型能带排列特性;在负双轴应变作用下,MSN/WS异质结由原来的直接带隙半导体转变为间接带隙半导体,当施加的负双轴应变达到-6%与-8%时,I型能带排列转变为Ⅱ型能带排列.

关键词： MoSi_(2)N_(4) WSe_(2) 双轴应变能带排列

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La、Yb掺杂AlN的光电特性和磁性的第一性原理研究

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无机化学学报 2024年第8期40卷 1519-1527页

作者：熊鑫陈茜谢泉贵州大学大数据与信息工程学院新型光电子材料与技术研究所贵阳550025

为了探索AlN在光电器件的潜在应用,基于密度泛函理论,采用第一性原理计算了本征AlN和稀土元素La、Yb掺杂AlN体系的光电特性和磁性。计算结果表明:本征AlN的带隙为6.060 eV。掺入La和Yb后都在导带底产生了杂质能级,使得电子从价带到导带... 详细信息

为了探索AlN在光电器件的潜在应用,基于密度泛函理论,采用第一性原理计算了本征AlN和稀土元素La、Yb掺杂AlN体系的光电特性和磁性。计算结果表明:本征AlN的带隙为6.060 eV。掺入La和Yb后都在导带底产生了杂质能级,使得电子从价带到导带所需的激发能量更低,有利于光学跃迁,从而改善AlN的光学性能。Yb掺杂后自旋向上和自旋向下的价带发生了劈裂,说明Yb掺杂后产生了磁性。La、Yb替位掺杂AlN后,光吸收带边向左往低能方向移动,发生了红移现象。掺杂La和Yb后AlN体系的静态介电常数由4.63分别增大为5.14、280.44,说明掺杂之后增强了体系耐高压特性;静态折射率则由2.12分别增大为2.26、17.06,改善了AlN的光学性质。

关键词： AlN 第一性原理稀土掺杂光电特性磁性

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碱土金属X(X=Be,Mg,Ca和Sr)掺杂二维SnS_(2)材料的第一性原理研究

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原子与分子物理学报 2024年第4期41卷 134-142页

作者：柏慧梁前钱国林谢泉贵州大学大数据与信息工程学院新型光电子材料与技术研究所贵阳550025

基于密度泛函理论的第一性原理研究赝势平面波方法,计算了碱土金属X(X=Be, Mg, Ca和Sr)掺杂二维单层SnS_(2)的电子结构、磁学性质和光学性质.结果表明:S-rich条件下的体系相较于Sn-rich更稳定,能带结构表明:在Be掺杂后,SnS_(2)体系从自... 详细信息

基于密度泛函理论的第一性原理研究赝势平面波方法,计算了碱土金属X(X=Be, Mg, Ca和Sr)掺杂二维单层SnS_(2)的电子结构、磁学性质和光学性质.结果表明:S-rich条件下的体系相较于Sn-rich更稳定,能带结构表明:在Be掺杂后,SnS_(2)体系从自旋向上通道和自旋向下通道完全对称的非磁性半导体转变为具有1.999μB磁矩的磁性半导体.在Mg掺杂后,体系转变为非磁性P型半导体;Ca和Sr两种掺杂体系由于极化程度的不同,导致在下自旋通道的能带穿过费米能级,而在上自旋通道的能带并未穿过费米能级,呈现出磁矩分别为1.973、2.000μB的半金属特性.同时发现X(X=Be, Mg, Ca和Sr)掺杂后,掺杂体系实部静态介电常数大幅度增加,掺杂后的SnS_(2)体系的极化能力增强,虚部数值在低能区明显变大,更适用于长波长光电器. Be, Mg, Ca和Sr掺杂不仅导致吸收边红移,而且提高了红外光区域的有效利用率.

关键词：二维SnS_(2) 电子结构磁性光学性质

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