检索结果-南通市图书馆

Water’s motions in x–y and z directions of 2D nanochannels:Entirely different but tightly coupled

在线全文

学校读者我要写书评

暂无评论

Nano Research 2023年第5期16卷 6298-6307页

作者： Shouwei liao Qia Ke Yanying Wei libo li Guangdong Provincial Key Lab of Green Chemical Product Technology School of Chemistry&Chemical EngineeringSouth China University of TechnologyGuangzhou 510640China State Key Laboratory of Pulp and Paper Engineering South China University of TechnologyGuangzhou 510640China

Two-dimensional(2D)material-based membrane separation has attracted increasing attention due to its promising performance compared with traditional ***,in-depth understanding of water transportation behavior in such confined nanochannels is still lacking,which hinders the development of 2D nanosheets ***,we investigated water confined in graphene or MoS_(2)nanochannels by molecular dynamics(MD)simulations and found water’s diffusivity always varied linearly with their mean square displacement along z direction(Δz^(2))when system variables(e.g.,water molecules’number,channel height,nonbonded interaction parameter,harmonic potential constraining water’s z-coordinate)*** linear correlation applies to different water models and different force fields(FFs)of channel walls(e.g.,different Lennard–Jones parameters or even flexible FF),no matter whether water molecules form 3-,2-,or quasi-2-layer structure in the *** indicates,though water molecules’motion along z direction(z-fluctuation,confined within 1 nm)and that in xy plane(xydiffusion)are entirely different,they are tightly coupled:Violent z-fluctuation would produce more transient void to facilitate xydiffusion,which is to the sharp contrary of bulk water,where motions in x,y,z directions are symmetric,but *** work could help design high performance 2D nanochannels and discover more novel principles in nano-fluidics and membrane separation fields.

关键词： graphene membranes nanochannel nanofluidics water diffusion

Nitrogen rejection from low quality natural gas by pressure swing adsorption experiments and simulation using dynamic adsorption isotherms

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Chinese Journal of Chemical Engineering 2022年第2期35卷 120-129页

作者： Xinran Zhang Hua Shang Jiangfeng Yang libo li Jinping li Research Institute of Special Chemicals College of Chemistry and Chemical EngineeringTaiyuan University of TechnologyTaiyuan 030024China Shanxi Key Laboratory of Gas Energy Efficient and Clean Utilization Taiyuan 030024China

In order to remove N_(2) from low quality natural gas,a mathematical model has been established by Aspen adsorption,using the CH_(4)-selective sorbent silicalite-1 *** dynamic adsorption isotherm was first simulated by breakthrough simulation of a CH_(4)/N_(2) mixture at different adsorption pressures and feed flow rates based on breakthrough *** resulting simulated CH_(4) dynamic adsorption amounts were very close to the experimental data at three different adsorption pressures(100,200,and 300 kPa).Moreover,a single-bed,three-step pressure swing adsorption(PSA)experiment was performed,and the results were in good agreement with the simulated data,further corroborating the accuracy of the gas dynamic adsorption isotherm obtained by the simulation ***,based on the simulated dynamic adsorption isotherm of CH_(4) and N_(2),a four-bed,eight-step PSA process has been designed,which enriched 75%(vol)CH_(4) and 80%(vol)CH_(4) to 95%(vol)and 99%(vol),and provided 99%(vol)recovery.

关键词： Natural gas Silicalite-1 Simulation Dynamic adsorption Pressure swing adsorption process

Selective adsorption of propene over propane on li-decorated poly(triazine imide)

在线全文

学校读者我要写书评

暂无评论

Green Energy & Environment 2022年第2期7卷 307-313页

作者： Yong Wang Xiaoxia Jia libo li Jiangfeng Yang Jinping li College of Materials Science and Engineering Taiyuan University of TechnologyTaiyuan030024China Shanxi Key Laboratory of Gas Energy Efficient and Clean Utilization Taiyuan University of TechnologyTaiyuan030024China College of Chemistry and Chemical Engineering Taiyuan University of TechnologyTaiyuan030024China

Solid adsorbents that simultaneously have high selectivity and uptake capacity are highly promising as alternatives to conventional cryogenic distillation of propene/propane(C_(3)H_(6)/C_(3)H_(8)) *** unsaturated metal sites(CUS) plays a vital role in selective adsorption of olefins over *** poly(triazine imide)(PTI) nanosheets can reach rapid gas adsorption equilibrium,due to its large surface-tovolume *** this work,combining the advantages of the CUS and the PTI nanosheets,li CUSs were introduced into the PTI nanosheets for C_(3)H_(6)/C_(3)H_(8) *** functional theory(DFT) calculations demonstrated the thermodynamic feasibility of incorporating li CUSs into the PTI *** highly exposed li CUSs were predicted to have a higher adsorption affinity toward C_(3)H_(6) than C_(3)H_(8).Using the DFTderived force field parameters,we further performed grand canonical Monte Carlo(GCMC) simulations to investigate C_(3)H_(6)/C_(3)H_(8) adsorption on the li–PTI complexes slit pore model with different pore widths(H).We found that the li–PTI complexes display considerable C_(3)H_(6)/C_(3)H_(8) selectivity(4.2–7.9) under relevant ***,the li–PTI complexes slit pore have large C_(3)H_(6) working capacities(1.5–4.0 mmol g-1),superior to those calculated for the most of adsorbent materials that have been *** li–PTI complexes with slit pore architecture show potential as C_(3)H_(6)/C_(3)H_(8) separation materials.

关键词： materials adsorption complexes

Shaping of metal-organic frameworks through a calcium alginate method towards ethylene/ethane separation

在线全文

学校读者我要写书评

暂无评论

Chinese Journal of Chemical Engineering 2022年第2期35卷 17-24页

作者： Jinlong li Xiaoqing Wang Puxu liu Xiaohua liu libo li Jinping li College of Chemistry and Chemical Engineering Shanxi Key Laboratory of Gas Energy Efficient and Clean UtilizationTaiyuan University of TechnologyTaiyuan 030024China Key Laboratory of Coal Science and Technology Ministry of Education and Shanxi ProvinceTaiyuan University of TechnologyTaiyuan 030024China

The separation of ethylene and ethane is a crucial,challenging and cost-intensive process in chemical ***-organic frameworks(MOFs)are a class of novel porous adsorbents used for the separation of ethylene/ethane ***,MOFs are normally crystalline powders that cause multiple problems,such as dust,abrasion and heat/mass loss,as well as significant pressure drops on the adsorption bed resulting in a sudden stop in *** solve these issues,we have prepared four different sphere-shaped adsorbents,including Mg-gallate,Co-gallate,MUV-10(Mn)and MIL-53(Al)using a calcium alginate method to achieve excellent ethylene/ethane separation *** performance of the sphere-shaped adsorbents has been validated using mechanical strength measurements,powder X-ray diffraction,scanning electron microscopy,thermogravimetric analysis,gas adsorption isotherms and dynamic breakthrough *** excellent mechanical strength of these sphere-shaped adsorbents meets the criteria for industrial application in gas ***,the energy consumption and operating cost will be further reduced in the ethylene production *** believe that this shaping method will open a prosperous route to the development of MOFs toward higher technology levels and their commercial application.

关键词： Metal-organic frameworks Alginates Shaping Mechanical properties Adsorption Separation

Measurements and thermodynamic modeling of liquid–liquid equilibria in ternary system 2-methoxy-2-methylpropane+p-cresol+water

在线全文

学校读者我要写书评

暂无评论

Chinese Journal of Chemical Engineering 2016年第3期24卷 360-364页

作者： liejin Luo Dong liu libo li Yun Chen Key Laboratory of Heat Transfer Enhancement and Energy Conservation of Ministry of Education School of Chemistry and Chemical EngineeringSouth China University of Technology

liquid-liquid equilibrium （LLE） data for the ternary system 2-methoxy-2-methylpropane （methyl tert-butyl ether）＋ p-cresol ＋ water was measured at atmospheric pressure and temperatures of 298.15 K and 313.15 K. From the distribution coefficients and selectivity, it was found that 2-methoxy-2-methylpropane is an efficient solvent to extract p-cresol from wastewater. The consistency of the experimental tie-line data was verified with the Hand and Bachman equations. These data were also correlated with the non-random two liquid （NRTL） and universal quasi-chemical correlation activity coefficient （UN1QUAC） models to yield binary interac- tion parameters for p-cresol extraction process evaluation. Both models agreed with experiments very well, yet the NRTL model showed even smaller average deviation than the UNIQUAC model.

关键词： liquid-liquid equilibriaSolvent extractionWaste treatmentNRTLUNIQUACSimulation

Molecular dynamics simulation on DNA translocating through MoS_(2) nanopores with various structures

在线全文

学校读者我要写书评

暂无评论

Frontiers of Chemical Science and Engineering 2021年第4期15卷 922-934页

作者： Daohui Zhao Huang Chen Yuqing Wang Bei li Chongxiong Duan Zhixian li libo li School of Chemistry and Chemical Engineering South China University of TechnologyGuangzhou 510640China School of Chemistry and Chemical Engineering Hubei UniversityWuhan 430062China School of Materials Science and Hydrogen Energy Foshan UniversityFoshan 528231China

The emergence of MoS_(2) nanopores has provided a new avenue for high performance DNA sequencing,which is critical for modem chemical/biological research and ***,molecular dynamics simulations were performed to design a conceptual device to sequence DNA with MoS_(2) nanopores of different structures(e.g.,pore rim contained Mo atoms only,S atoms only,or both Mo and S atoms),where various unfolded single-stranded DNAs(ssDNAs)translocated through the nanopores driven by transmembrane bias;the sequence content was identified by the associating ionic *** ssDNAs adsorbed onto the MoS_(2) surface and translocated through the nanopores by transmembrane electric field in a stepwise manner,where the pause between two permeation events was long enough for the DNA fragments in the nanopore to produce well-defined ionic blockage current to deduce the DNA’s base *** transmembrane bias and DNA-MoS_(2) interaction could regulate the speed of the translocation ***,the structure(atom constitution of the nanopore rim)of the nanopore considerably regulated both the translocate process and the ionic ***,MoS_(2) nanopores could be employed to sequence DNA with the flexibility to regulate the translocation process and ionic current to yield the optimal sequencing performance.

关键词： DNA sequencing MoS_(2) molecular dynamics simulation nanopore ionic current

Round-the-clock water harvesting from dry air using a metal-organic framework

在线全文

学校读者我要写书评

暂无评论

Chinese Journal of Chemical Engineering 2022年第9期35卷 170-177页

作者： Jianhui li Yi Wang Yang Chen Qizhao Xiong Jiangfeng Yang libo li Jinping li College of Chemistry and Chemical Engineering Shanxi Key Laboratory of Gas Energy Efficient and Clean UtilizationTaiyuan University of TechnologyTaiyuan 030024China Key Laboratory of Coal Science and Technology Ministry of Education and Shanxi ProvinceTaiyuan University of TechnologyTaiyuan 030024China

Harvesting water from the atmosphere is an important process to solve the extreme lack of water resources in arid regions. Adsorption-based atmospheric water harvesting(AWH) takes advantage of solar thermal energy to harvest water from air. This technique is particularly suitable for arid regions characterized by low humidity and an abundance of sunshine. Nonetheless, under low humidity conditions, AWH is highly dependent on water-adsorbing materials exhibiting excellent performance. In this work, a metal–organic framework(MOF), namely [Zn_(2)(bpy)(btec)(H_(2)O)_(2)]·2H_(2)O, also denoted as MWH-1, was investigated for application in water harvesting under low humidity conditions(lity. At temperatures of 293–333 K and low pressure, activated MWH-1a exhibited competitive water uptake(relative humidity(RH) = 5%,uptake>200 cm^(3)·cm^(-3);RH = 10%, uptake >250 cm^(3)·cm^(-3)). This ensured effective water harvesting at high temperatures during the day. In situ powder X-ray diffraction and Fourier-transform infrared analyses confirmed the sensitive water adsorption process of MWH-1a. The X-ray single-crystal study further demonstrated that single-crystal structures could be completely restored following water ***-1 showed good structural stability and enabled water harvesting under low humidity and high temperature conditions. Thus, it has the potential for application in round-the-clock water harvesting in extremely arid regions.

关键词： MOFs Atmospheric water harvesting Extremely low humidity Single-crystal restoration Round-the-clock

Measurement and correlation of phase equilibrium data of the mixtures consisting of water, resorcinol, mesityl oxide at different temperatures

在线全文

学校读者我要写书评

暂无评论

Chinese Journal of Chemical Engineering 2018年第12期26卷 2573-2580页

作者： Youchang Wang Shaoming Zhou Jinhui Tang Yun Chen libo li Key Laboratory of Heat Transfer Enhancement and Energy Conservation of Ministry of Education School of Chemistry and Chemical Engineering South China University of Technology

liquid–liquid equilibrium(LLE) data were measured for the ternary system of water + resorcinol + mesityl oxide under atmospheric pressure at temperatures of(298.2, 323.2, 333.2, 343.2 and 353.2) K. The reliability of the experimental data was verified by the Hand and Bachman equations. The distribution coefficient and selectivity were calculated from the experimental LLE data, which showed high efficiency of mesityl oxide extracting resorcinol from the aqueous solution. The NRTL and UNIQUAC models were employed to fit the measured experimental LLE data and yield corresponding binary interaction parameters.

关键词： liquid-liquid equilibrium Mesityl oxide Resorcinol NRTL UNIQUAC

Dual-modal Colorimetric and Fluorometric Method for Glucose Detection Using MnO2 Sheets and Carbon Quantum Dots

在线全文

学校读者我要写书评

暂无评论

Chemical Research in Chinese Universities 2019年第5期35卷 767-774页

作者： WANG Chengke TAN Rong li libo liU Dong College of Food and Biological Engineering Jiangsu UniversityZhenjiang 212013P.R.China Henan Key Laboratory of Bioniolecular Recognition and Sensing Shangqiu Normal UniversityShangqiu 476000P.R.China School of Agricultural Equipment Engineering Institute of Agricultural EngineeringJiangsu UniversityZhenjiang 212013P.R.China

A novel dual-modal fluorometric and colorimetric method was developed for glucose detection using MnO2 sheets and carbon quantum dots(CQDs). The glucose could be oxidized by glucose oxidase, in accompanied witli the fbnnation of H2O2 intennediate, which resulted in the decomposition of MnO2 sheets, as well as tlie MnO2 sheets(brown) changed to Mn^2+ ions(colorless), which induced the absorption of MnO2 sheet decreased and the fluorescence of CQDs increased, consequently. The linear detection ranges of glucose are 5-1000 μmol/L by fluorescent method and 5-60 μmol/L by colorimetric method. The limits of detection of these two measurements are 2.11 and 2.18 μmol/L, respectively. This method is easy to conduct, has reasonable sensitive and selectivity, and could be applied for the glucose detection in real human senim.

关键词： MnO2 Carbon quantum dot Colorimetric Fluorescent Dual-modal