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Measurement and correlation of the solid-liquid equilibrium of 2-(

Yanhong SUN, Zhiyong LI, Chuang XIE, Wei CHEN, Cui ZHANG

《化学科学与工程前沿（英文）》 2013年 第7卷 第1期   页码 110-115 doi: 10.1007/s11705-013-1316-7

摘要： In this work, the enthalpy of fusion and melting points of 2-( -butyl)-5-methylphenol (2B5MP) and 2-( -butyl)-4-methylphenol (2B4MP) were measured by differential scanning calorimetry (DSC). The binary solid-liquid equilibrium (SLE) of both compounds were predicted by integrated computer aided system (ICAS) and measured by DSC. The corresponding eutectic molar composition is 0.6998 and the eutectic temperature is 281.96 K. The quasi-static heat capacities of 2B5MP and 2B4MP were evaluated by stochastic temperature modulation DSC technique (TOPEM). The SLE experimental data were correlated using the Margules, Wilson, and non-random two liquid (NRTL) equations and a good agreement between measurement and calculation could be obtained.

关键词： solid-liquid equilibrium (SLE)     eutectic     integrated computer aided system (ICAS)     TOPEM     correlation    

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Many-body dissipative particle dynamics simulation of wetting phenomena

Ying ZHAO, Ye YUE, Xianren ZHANG, Shuangyang LI, Atul SAJJANHAR,

《化学科学与工程前沿（英文）》 2010年 第4卷 第3期   页码 280-282 doi: 10.1007/s11705-009-0278-2

摘要： With the development of the simulation of particle dynamics, the traditional dissipative particle dynamics (DPD) method can not satisfy the needs of research in static or dynamic wetting phenomena. However, the Many-body DPD approach extends the ability of the traditional method to simulate the interface between solid and liquid or some other situation. In this paper, we propose a Many-body DPD program to simulate the solid-liquid interface and get satisfactory results.

关键词： development     satisfactory     traditional dissipative     phenomena     solid-liquid interface    

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A computational toolbox for molecular property prediction based on quantum mechanics and quantitative structure-property relationship

《化学科学与工程前沿（英文）》 2022年 第16卷 第2期   页码 152-167 doi: 10.1007/s11705-021-2060-z

摘要： Chemical industry is always seeking opportunities to efficiently and economically convert raw materials to commodity chemicals and higher value-added chemical-based products. The life cycles of chemical products involve the procedures of conceptual product designs, experimental investigations, sustainable manufactures through appropriate chemical processes and waste disposals. During these periods, one of the most important keys is the molecular property prediction models associating molecular structures with product properties. In this paper, a framework combining quantum mechanics and quantitative structure-property relationship is established for fast molecular property predictions, such as activity coefficient, and so forth. The workflow of framework consists of three steps. In the first step, a database is created for collections of basic molecular information; in the second step, quantum mechanics-based calculations are performed to predict quantum mechanics-based/derived molecular properties (pseudo experimental data), which are stored in a database and further provided for the developments of quantitative structure-property relationship methods for fast predictions of properties in the third step. The whole framework has been carried out within a molecular property prediction toolbox. Two case studies highlighting different aspects of the toolbox involving the predictions of heats of reaction and solid-liquid phase equilibriums are presented.

关键词： molecular property     quantum mechanics     quantitative structure-property relationship     heat of reaction     solid-liquid phase equilibrium    

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A multiscale material model for heterogeneous liquid droplets in solid soft composites

《结构与土木工程前沿（英文）》 2021年 第15卷 第5期   页码 1292-1299 doi: 10.1007/s11709-021-0771-3

摘要： Liquid droplets in solid soft composites have been attracting increasing attention in biological applications. In contrary with conventional composites, which are made of solid elastic inclusions, available material models for composites including liquid droplets are for highly idealized configurations and do not include all material real parameters. They are also all deterministic and do not address the uncertainties arising from droplet radius, volume fraction, dispersion and agglomeration. This research revisits the available models for liquid droplets in solid soft composites and presents a multiscale computational material model to determine their elastic moduli, considering nearly all relevant uncertainties and heterogeneities at different length scales. The effects of surface tension at droplets interface, their volume fraction, size, size polydispersity and agglomeration on elastic modulus, are considered. Different micromechanical material models are incorporated into the presented computational framework. The results clearly indicate both softening and stiffening effects of liquid droplets and show that the model can precisely predict the effective properties of liquid droplets in solid soft composites.

关键词： liquid in solid     soft composite     computational modeling     multiscale model     heterogeneity    

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High heat flux thermal management through liquid metal driven with electromagnetic induction pump

《能源前沿（英文）》 2022年 第16卷 第3期   页码 460-470 doi: 10.1007/s11708-022-0825-9

摘要： In this paper, a novel liquid metal-based minichannel heat dissipation method was developed for cooling electric devices with high heat flux. A high-performance electromagnetic induction pump driven by rotating permanent magnets is designed to achieve a pressure head of 160 kPa and a flow rate of 3.24 L/min, which could enable the liquid metal to remove the waste heat quickly. The liquid metal-based minichannel thermal management system was established and tested experimentally to investigate the pumping capacity and cooling performance. The results show that the liquid metal cooling system can dissipate heat flux up to 242 W/cm2 with keeping the temperature rise of the heat source below 50°C. It could remarkably enhance the cooling performance by increasing the rotating speed of permanent magnets. Moreover, thermal contact resistance has a critical importance for the heat dissipation capacity. The liquid metal thermal grease is introduced to efficiently reduce the thermal contact resistance (a decrease of about 7.77 × 10−3 °C/W). This paper provides a powerful cooling strategy for thermal management of electric devices with large heat power and high heat flux.

关键词： high heat flux     liquid metal     electromagnetic pump     minichannel heat sink     thermal interface material    

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Flow behavior of liquid-solid coupled system of piezoelectric micropump

LU Lijun, WU Jiankang

《机械工程前沿（英文）》 2008年 第3卷 第1期   页码 50-54 doi: 10.1007/s11465-008-0003-8

摘要： This paper employs a shallow water model and the finite element method to approximate periodical flows of a micropump to a two-dimensional thickness-averaged flow. A liquid-solid coupled system equation of the micropump is presented. Through the mode analysis of the liquid-solid coupled system, the first-order natural frequency, diaphragm vibration shape and amplitude-frequency relationship are obtained. The vibration response of the diaphragm is calculated when an external electric field is applied. Based on the thickness-averaged flow equation, the periodical flow of the micropump is studied using the finite volume method to investigate the flow behavior and flow rate-frequency characteristics. Numerical results indicate that an optimal working frequency can be obtained, at which the flow rate of the micropump achieves the maximum when the external electric voltage is fixed.

关键词： amplitude-frequency relationship     first-order     micropump     diaphragm vibration     electric    

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基于液-液界面的主-客体分子识别 Review

王贝贝, 陈浩, 刘倓, 史少伟, Thomas P. Russell

《工程（英文）》 2021年 第7卷 第5期   页码 603-614 doi: 10.1016/j.eng.2021.02.004

摘要：

由于动态和可逆的性质，主-客体识别作为一种非共价键相互作用，赋予了液-液界面独特的性质，包括刺激响应性和自调节性等。近年来，越来越多的研究致力于通过在液-液界面上集成功能性单元（如胶体粒子、聚合物）来构筑二维薄膜和微胶囊等超分子界面体系，这为物质封装、递送、双相反应器等领域提供了重要的发展机遇。在本文中，我们总结了近年来基于主-客体相互作用构筑超分子界面体系的研究进展，并对其制备方法、功能和应用进行了概述。

关键词： 液-液界面     自组装     主-客体化学     微胶囊    

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Detection of geosmin and 2-methylisoborneol by liquid-liquid extraction-gas chromatograph mass spectrum(LLE-GCMS) and solid phase extraction-gas chromatograph mass spectrum (SPE-GCMS)

MA Xiaoyan, CHEN Beibei, LI Qingsong, ZHANG Qiaoli, GU Guofen

《环境科学与工程前沿（英文）》 2007年 第1卷 第3期   页码 286-291 doi: 10.1007/s11783-007-0048-7

摘要： Two sample preparation methods were introduced and compared in this paper to establish a simple, quick and exact analysis of geosmin and 2-methylisoborneol. LC-18 column was employed in solid phase extraction (SPE), 1.0 mL of hexane was adopted in liquid-liquid extraction (LLE), and the extracts were analyzed by gas chromatograph mass spectrum (GCMS) in selected ion mode. Mean recoveries of SPE were low for 2-methylisoborneol (2-MIB) and geosmin (GSM) with values below 50%. For LLE, the recoveries were satisfyingly above 50% for 2-MIB and 80% for GSM. Detection limits of the LLE method were as low as 1.0 ng/L for GSM and 5.0 ng/L for 2-MIB. A year-long investigation on odor chemicals of drinking water in Shanghai demonstrated that in the summer, there was a serious odor problem induced by a high concentration of 2-MIB. The highest concentration of 152.82 ng/L appeared in July in raw water, while GSM flocculation was minimal with concentrations below odor threshold.

关键词： summer     flocculation     simple     Shanghai     spectrum    

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Ultrafast solid-liquid-vapor phase change of a thin gold film irradiated by femtosecond laser pulses

Jing HUANG, Yuwen ZHANG, J. K. CHEN, Mo YANG

《能源前沿（英文）》 2012年 第6卷 第1期   页码 1-11 doi: 10.1007/s11708-012-0179-9

摘要： Effects of different parameters on the melting, vaporization and resolidification processes of thin gold film irradiated by femtosecond pulses and pulse train were systematically studied. The classical two-temperature model was adopted to depict the non-equilibrium heat transfer in electrons and lattice. The melting and resolidification processes, which was characterized by the solid-liquid interfacial velocity, as well as elevated melting temperature and depressed solidification temperature, was obtained by considering the interfacial energy balance and nucleation dynamics. Vaporization process which leads to ablation was described by tracking the location of liquid-vapor interface with an iterative procedure based on energy balance and gas kinetics law. The parameters in discussion included film thickness, laser fluence, pulse duration, pulse number, repetition rate, pulse train number, etc. Their effects on the maximum lattice temperature, melting depth and ablation depth were discussed based on the simulation results.

关键词： melting     evaporation     nucleation dynamics     nanoscale heat transfer    

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A review on the development of electrolytes for lithium-based batteries for low temperature applications

《能源前沿（英文）》 2023年 第17卷 第1期   页码 43-71 doi: 10.1007/s11708-022-0853-5

摘要： The aerospace industry relies heavily on lithium-ion batteries in instrumentation such as satellites and land rovers. This equipment is exposed to extremely low temperatures in space or on the Martian surface. The extremely low temperatures affect the discharge characteristics of the battery and decrease its available working capacity. Various solvents, cosolvents, additives, and salts have been researched to fine tune the conductivity, solvation, and solid-electrolyte interface forming properties of the electrolytes. Several different resistive phenomena have been investigated to precisely determine the most limiting steps during charge and discharge at low temperatures. Longer mission lifespans as well as self-reliance on the chemistry are now highly desirable to allow low temperature performance rather than rely on external heating components. As Martian rovers are equipped with greater instrumentation and demands for greater energy storage rise, new materials also need to be adopted involving next generation lithium-ion chemistry to increase available capacity. With these objectives in mind, tailoring of the electrolyte with higher-capacity materials such as lithium metal and silicon anodes at low temperatures is of high priority. This review paper highlights the progression of electrolyte research for low temperature performance of lithium-ion batteries over the previous several decades.

关键词： electrolyte     lithium-ion     low temperature     aerospace     solid-electrolyte interface    

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第14届国际气液和气液固反应器工程大会(International Conference on Gas-Liquid and Gas-Liquid-Solid Reactor Engineering)

会议日期： 2019年05月30日

会议地点： 中国/广西/桂林

主办单位： 中国科学院过程工程研究所，中国颗粒学会

Effect of interface adhesion factor on the bearing capacity of strip footing placed on cohesive soil

《结构与土木工程前沿（英文）》 2021年 第15卷 第6期   页码 1494-1503 doi: 10.1007/s11709-021-0768-y

摘要： The problem related to bearing capacity of footing either on pure soil or on pure rock mass has been investigated over the years. Currently, no study deals with the bearing capacity of strip footing on a cohesive soil layer overlying rock mass. Therefore, by implementing the lower bound finite element limit analysis in conjunction with the second-order cone programming and the power cone programming, the ultimate bearing capacity of a strip footing located on a cohesive soil overlying rock mass is determined in this study. By considering the different values of interface adhesion factor (αcr) between the cohesive soil and rock mass, the ultimate bearing capacity of strip footing is expressed in terms of influence factor (If) for different values of cohesive soil layer cover ratio (Tcs/B). The failure of cohesive soil is modeled by using Mohr−Coulomb yield criterion, whereas Generalized Hoek−Brown yield criterion is utilized to model the rock mass at failure. The variations ofIf with different magnitudes of αcr are studied by considering the influence of the rock mass strength parameters of beneath rock mass layer. To examine stress distribution at different depths, failure patterns are also plotted.

关键词： bearing capacity     soil-rock interface     Hoek−Brown yield criterion     plasticity     limit analysis    

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An efficient resin for solid-phase extraction and determination by UPLCMS/MS of 44 pharmaceutical personal

Feng Zhu, Zhijian Yao, Wenliang Ji, Deye Liu, Hao Zhang, Aimin Li, Zongli Huo, Qing Zhou

《环境科学与工程前沿（英文）》 2020年 第14卷 第3期 doi: 10.1007/s11783-020-1228-y

摘要： A hydrophilic resin (GCHM) was facile synthesis and characterized. Average absolute recovery of GCHM (75.6%) performs better than Oasis® HLB. Detection limits of method (SPE-UPLC-MS/MS) ranged between 0.03 and 0.6 ng/L. 22 PPCPs were determined in environmental waters ranging from 0.5 to 1590 ng/L. In this study, a hydrophilic resin named GCHM was fabricated based on poly(N-vinyl pyrrolidone-co-divinylbenzene), characterized, and applied as a solid-phase extraction (SPE) material. Up to 44 pharmaceuticals and personal care products (PPCPs) belonging to 10 classes were recovered in environmental water samples. Different variables affecting extraction, such as adsorbent amount, sample pH, and loading speed, were optimized. Under optimal conditions, the average absolute recovery of 44 PPCPs was 75.6% using GCHM, indicating a better performance than the commercial Oasis® HLB. SPE with home-made hydrophilic polymeric sorbent followed by ultra-performance liquid chromatography and tandem mass spectrometry was validated, and the method achieved good linearity (r2>0.991, for all analytes). In addition, the method detection limits of target compounds ranged from 0.03 to 0.6 ng/L. The developed method was applied to determine PPCPs in 10 environmental water samples taken from the Yangtze River, Huaihe River, and Taihu Lake, 1 groundwater sample from Changzhou in Jiangsu Province, 1 wastewater sample from Xiamen and 2 seawater samples from the Jiulong River in Fujian Province, China. In these samples, 22 compounds were determined at levels ranging from 0.5 to 1590 ng/L.

关键词： Hydrophilic resin     Solid phase extraction     Pharmaceuticals and personal care product     Ultra-performance liquid chromatography and tandem mass spectrometry     Environmental water    

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Flow boiling heat transfer in circulating fluidized bed

Xiaoguang REN , Jiangdong ZHENG , Sefiane KHELLIl , Arumemi-Ikhide MICHAEL ,

《能源前沿（英文）》 2009年 第3卷 第1期   页码 85-89 doi: 10.1007/s11708-008-0067-5

摘要： In order to enhance heat transfer and mitigate contamination in the boiling processes, a new type of vapor-liquid-solid (3-phase) circulating fluidized bed boiling system has been designed, combining a circulating fluidized bed with boiling heat transfer. Experimental results show an enhancement of the boiling curve. Flow visualization studies concerning flow hydrodynamics within the riser column are also conducted whose results are presented and discussed.

关键词： vapor-liquid-solid three phase     flow boiling heat transfer     circulating fluidized bed    

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Experimental verification of the interface wave method to detect interlaminar damage of a metal multilayer

Bing LI,Xu GENG,Tong LU,Lei QIANG,Minghang LI

《机械工程前沿（英文）》 2015年 第10卷 第4期   页码 380-391 doi: 10.1007/s11465-015-0365-7

摘要：

The interface wave traveling along the boundary of two materials has been studied for nearly a century. However, experiments, engineering applications, and interface wave applications to the non-destructive inspection of interlaminar composite have developed slowly. In this research, an experiment that applies Stoneley waves (a type of interfacial wave between two solid half-spaces) is implemented to detect the damage in a multilayer structure. The feasibility of this method is also verified. First, the wave velocity and wave structure of Stoneley waves at a perfectly bonded aluminum-steel interface are obtained by solving the Stoneley wave dispersion equation of two elastic half-spaces. Thereafter, an experiment is conducted to measure the Stoneley wave velocity of an aluminum-steel laminated beam and to locate interlaminar cracks by referring to the Stoneley wave velocity and echo wave time. Results indicate that the location error is less than 2%. Therefore, Stoneley waves show great potential as a non-destructive inspection method of a multilayer structure.

关键词： crack localization     interface waves     Stoneley waves     interlaminar damage     multilayer structure    

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标题 作者 时间 类型 操作

Measurement and correlation of the solid-liquid equilibrium of 2-(

Yanhong SUN, Zhiyong LI, Chuang XIE, Wei CHEN, Cui ZHANG

期刊论文

Many-body dissipative particle dynamics simulation of wetting phenomena

Ying ZHAO, Ye YUE, Xianren ZHANG, Shuangyang LI, Atul SAJJANHAR,

期刊论文

A computational toolbox for molecular property prediction based on quantum mechanics and quantitative structure-property relationship

期刊论文

A multiscale material model for heterogeneous liquid droplets in solid soft composites

期刊论文

High heat flux thermal management through liquid metal driven with electromagnetic induction pump

期刊论文

Flow behavior of liquid-solid coupled system of piezoelectric micropump

LU Lijun, WU Jiankang

期刊论文

基于液-液界面的主-客体分子识别

王贝贝, 陈浩, 刘倓, 史少伟, Thomas P. Russell

期刊论文

Detection of geosmin and 2-methylisoborneol by liquid-liquid extraction-gas chromatograph mass spectrum(LLE-GCMS) and solid phase extraction-gas chromatograph mass spectrum (SPE-GCMS)

MA Xiaoyan, CHEN Beibei, LI Qingsong, ZHANG Qiaoli, GU Guofen

期刊论文

Ultrafast solid-liquid-vapor phase change of a thin gold film irradiated by femtosecond laser pulses

Jing HUANG, Yuwen ZHANG, J. K. CHEN, Mo YANG

期刊论文

A review on the development of electrolytes for lithium-based batteries for low temperature applications

期刊论文

第14届国际气液和气液固反应器工程大会(International Conference on Gas-Liquid and Gas-Liquid-Solid Reactor Engineering)

2019年05月30日

会议信息

Effect of interface adhesion factor on the bearing capacity of strip footing placed on cohesive soil

期刊论文

An efficient resin for solid-phase extraction and determination by UPLCMS/MS of 44 pharmaceutical personal

Feng Zhu, Zhijian Yao, Wenliang Ji, Deye Liu, Hao Zhang, Aimin Li, Zongli Huo, Qing Zhou

期刊论文

Flow boiling heat transfer in circulating fluidized bed

Xiaoguang REN , Jiangdong ZHENG , Sefiane KHELLIl , Arumemi-Ikhide MICHAEL ,

期刊论文

Experimental verification of the interface wave method to detect interlaminar damage of a metal multilayer

Bing LI,Xu GENG,Tong LU,Lei QIANG,Minghang LI

期刊论文