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Synthesis of hierarchical nanohybrid CNT@Ni-PS and its applications in enhancing the tribological, curing

Jinian Yang, Yuxuan Xu, Chang Su, Shibin Nie, Zhenyu Li

《化学科学与工程前沿（英文）》 2021年 第15卷 第5期   页码 1281-1295 doi: 10.1007/s11705-020-2007-9

摘要： Poor interfacial adhesion and dispersity severely obstruct the continued development of carbon nanotube (CNT)-reinforced epoxy (EP) for potential applications. Herein, hierarchical CNT nanohybrids using nickel phyllosilicate (Ni-PS) as surface decorations (CNT@Ni-PS) were synthesized, and the nanocomposites derived from varied mass fractions of EP and CNT@Ni-PS were prepared. The morphological structures, tribological performances, curing behaviors and thermal properties of EP/CNT@Ni-PS nanocomposites were carefully investigated. Results show that hierarchical CNT nanohybrids with homogeneous dispersion and well-bonded interfacial adhesion in the matrix are successfully obtained, presenting significantly improved thermal and tribological properties. Moreover, analysis on cure kinetics proves the excellent promotion of CNT@Ni-PS on the non-isothermal curing process, lowering the curing energy barrier steadily.

关键词： nickel phyllosilicate     surface decoration     tribological property     curing kinetics     thermal performance    

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Multiscale model of micro curing residual stress evolution in carbon fiber-reinforced thermoset polymer

Xinyu HUI, Yingjie XU, Weihong ZHANG

《机械工程前沿（英文）》 2020年 第15卷 第3期   页码 475-483 doi: 10.1007/s11465-020-0590-6

摘要： In this study, the micro curing residual stresses of carbon fiber-reinforced thermoset polymer (CFRP) composites are evaluated using a multiscale modeling method. A thermochemical coupling model is developed at the macroscale level to obtain the distributions of temperature and degree of cure. Meanwhile, a representative volume element model of the composites is established at the microscale level. By introducing the information from the macroscale perspective, the curing residual stresses are calculated using the microscale model. The evolution of curing residual stresses reveals the interaction mechanism of fiber, matrix, and interphase period during the curing process. Results show that the curing residual stresses mostly present a tensile state in the matrix and a compressive state in the fiber. Furthermore, the curing residual stresses at different locations in the composites are calculated and discussed. Simulation results provide an important guideline for the analysis and design of CFRP composite structures.

关键词： CFRP     curing residual stress     multiscale modeling     finite element method    

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evolutive mode-I and mode-II fracture behavior of fiber-reinforced cemented paste backfill: Effect of curingtemperature and curing time

《结构与土木工程前沿（英文）》 2023年 第17卷 第2期   页码 256-270 doi: 10.1007/s11709-022-0924-z

摘要： The curing temperature-dependent cement hydration causes the nonlinear evolution of fracture behavior and properties of fiber-reinforced cemented paste backfill (CPB) and thus influences the stability of mine backfill materials in deep mines. Therefore, the coupled effect of curing temperature (20, 35, and 45 °C) and cement hydration at different curing times (3, 7, and 28 d) on the mode-I and mode-II fracture behavior and properties of fiber-reinforced CPB is investigated. A comprehensive experimental testing program consisting of semicircular bend tests, direct shear tests, measurement of volumetric water content and matric suction, TG/DTG tests, and SEM observation is carried out. The results show that the coupled thermochemical effect results in strongly nonlinear development of pre- and post-peak behavior of fiber-reinforced CPB. Moreover, the results discover a positive linear correlation between fracture toughness and shear strength parameters and also reveal the vital role played by matric suction in the formation of fracture toughness. Furthermore, predictive functions are developed to estimate the coupled thermochemical effect on the development of KIc and KIIc. Therefore, the findings and the developed mathematical tools have the potential to promote the successful application of fiber-reinforced CPB technology in deep underground mines.

关键词： fiber reinforcement     cemented paste backfill     fracture behavior     underground mine     cement hydration    

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The influence of curing conditions on the mechanical properties and leaching of inorganic polymers made

Remus I. Iacobescu, Valérie Cappuyns, Tinne Geens, Lubica Kriskova, Silviana Onisei, Peter T. Jones, Yiannis Pontikes

《化学科学与工程前沿（英文）》 2017年 第11卷 第3期   页码 317-327 doi: 10.1007/s11705-017-1622-6

摘要： This study reports on the impact of the curing conditions on the mechanical properties and leaching of inorganic polymer (IP) mortars made from a water quenched fayalitic slag. Three similar IP mortars were produced by mixing together slag, aggregate and activating solution, and cured in three different environments for 28 d: a) at 20 °C and relative humidity (RH) ~ 50% (T20RH50), b) at 20 °C and RH≥90% (T20RH90) and c) at 60 °C and RH ~ 20% (T60RH20). Compressive strength (EN 196-1) varied between 19 MPa (T20RH50) and 31 MPa (T20RH90). This was found to be attributed to the cracks formed upon curing. Geochemical modelling and two leaching tests were performed, the EA NEN 7375 tank test, and the BS EN 12457-1 single batch test. Results show that Cu, Ni, Pb, Zn and As leaching occurred even at high pH, which varied between 10 and 11 in the tank test’s leachates and between 12 and 12.5 in the single batch’s leachates. Leaching values obtained were below the requirements for non-shaped materials of Flemish legislation for As, Cu and Ni in the single batch test.

关键词： inorganic polymer     geochemical leaching modelling     heavy metals     recycling     non-ferrous fayalitic slag     curing    

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Synthesis of hierarchical nanohybrid CNT@Ni-PS and its applications in enhancing the tribological, curing

《化学科学与工程前沿（英文）》 2022年 第16卷 第10期   页码 1530-1530 doi: 10.1007/s11705-022-2240-5

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Theoretical insights into influence of additives on sulfamethoxazole crystal growth kinetics and mechanisms

《化学科学与工程前沿（英文）》 2023年 第17卷 第10期   页码 1503-1515 doi: 10.1007/s11705-022-2294-4

摘要： In this work, the influence of the initial chemical potential gradient, stirring speed, and polymer type on sulfamethoxazole (SMX) crystal growth kinetics was systematically investigated through density functional theory (DFT) calculations, experimental measurements and the two-step chemical potential gradient model. To investigate the influence of different conditions on the thermodynamic driving force of SMX crystal growth, SMX solubilities in different polymer solutions were studied. Four model polymers effectively improved SMX solubility. It was further found that polyvinylpyrrolidone (PVP) and hydroxypropyl methyl cellulose (HPMC) played a crucial role in inhibiting SMX crystal growth. However, polyethylene glycol (PEG) promoted SMX crystal growth. The effect of the polymer on the crystal growth mechanisms of SMX was further analyzed by the two-step chemical potential gradient model. In the system containing PEG 6000, crystal growth is dominated by the surface reaction. However, in the system containing PEG 20000, crystal growth is dominated by both the surface reaction and diffusion. In addition, DFT calculations results showed that HPMC and PVP could form strong and stable binding energies with SMX, indicating that PVP and HPMC had the potential ability to inhibit SMX crystal growth.

关键词： insoluble drugs     polymer     inhibition crystallization     crystal growth kinetics     DFT calculations    

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Influence of initial curing conditions and exposure environments on chloride migration in concrete using

Wen XUE, Weiliang JIN, Hiroshi YOKOTA,

《结构与土木工程前沿（英文）》 2010年 第4卷 第3期   页码 348-353 doi: 10.1007/s11709-010-0077-3

摘要： To investigate the influence of initial curing conditions and exposure environments on chloride ions’ migration in concrete, the specimens that were cured in different conditions and placed in several marine environments were studied. The amount of chloride ions passing through the specimen’s section was monitored in the accelerated chloride migration test. The effective chloride diffusion coefficients () were calculated from the steady-state on the basis of Nernst-Planck’s equation. The results indicated that the initial curing conditions and the wet-dry interval of external environments have coupling influence on effective diffusion coefficient of chloride ion significantly. reflected the density and pore connectivity of concrete. The co-effects of the initial curing condition and following exposure environment should be taken into account in durability design for concrete structure located in marine environment.

关键词： durability     effective diffusion coefficient     steady-state     migration test    

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Combustion characteristics and kinetics of bio-oil

Ruixia ZHANG, Zhaoping ZHONG, Yaji HUANG

《化学科学与工程前沿（英文）》 2009年 第3卷 第2期   页码 119-124 doi: 10.1007/s11705-009-0068-x

摘要： The combustion characteristics of bio-oils derived from rice husk and corn were studied by thermogravimetry analysis. According to the thermogravimetry (TG), differential thermogravimetry (DTG) and differential thermal analysis (DTA) curves of bio-oils in air and nitrogen atmosphere, we analyzed the combustion characteristics of different kinds of bio-oils in different atmospheres and worked out the combustion kinetics parameters of the bio-oil, providing reliable base data for the burning of bio-oil. The thermogravimetry indicated that the combustion process of bio-oil was divided into three stages. At the same time, the combustion process can be described by different order reaction models, and with the method of Coats-Redfern, the activation energy and frequency factor of different kinds of bio-oils were obtained.

关键词： bio-oil     combustion characteristics     combustion kinetics    

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Thermal degradation kinetics and lifetime estimation for polycarbonate/polymethylphenylsilsesquioxane

Jiangbo WANG, Zhong XIN

《化学科学与工程前沿（英文）》 2009年 第3卷 第2期   页码 167-171 doi: 10.1007/s11705-009-0006-y

摘要： The thermal degradation behaviors of polycarbonate/polymethylphenylsilsesquioxane (FRPC) composites were investigated by thermogravimetric analysis (TGA) under isothermal conditions in nitrogen atmosphere. The isothermal kinetics equation was used to describe the thermal degradation process. The results showed that activation energy ( ), in the case of isothermal degradation, was a quick increasing function of conversion (α) for polycarbonate (PC) but was a strong and decreasing function of conversion for FRPC. Under the isothermal condition, the addition of polymethylphenylsilsesquioxane (PMPSQ) retardanted the thermal degradation and enhanced the thermal stability of PC during the early and middle stages of thermal degradation. It also indicated a possible existence of a difference in nucleation, nuclei growth, and gas diffusion mechanism in the thermal degradation process between PC and FRPC. Meanwhile, the addition of PMPSQ influenced the lifetime of PC, but the composite still met the demand in manufacturing and application.

关键词： polycarbonate     polymethylphenylsilsesquioxane     thermal degradation kinetics     activation energy     lifetime    

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Modeling the aqueous reaction kinetics of estriol with ferrate

Cong LI, Naiyun GAO

《化学科学与工程前沿（英文）》 2009年 第3卷 第1期   页码 39-45 doi: 10.1007/s11705-009-0098-4

摘要： In this study the aqueous oxidation kinetics of estriol (E3) by potassium ferrate (K FeO ), a chemical for its strong oxidizing power and for producing a coagulant from its reduced state (i.e. Fe(III)), was evaluated in the range of pH 8-12 with different molar ratios of the reactants. As the degree of Fe(VI) protonation varies with the solution pH, it was found that a first order model was not suitable to describe the oxidation reaction. This paper describes a theoretical representation that closely models the reaction kinetics of E3 and ferrate. From this modeling, the reaction rates of HFe and Fe with E3 have been determined. The results show that the reactivity of HFe with dissociated and undissociated E3 is greater than that of Fe , and that E3 is more reactive in its dissociated state.

关键词： ferrate     estriol     endocrine disruptor     kinetics     oxidation    

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Influence of extracellular polymeric substances from activated sludge on the aggregation kinetics of

《环境科学与工程前沿（英文）》 2022年 第16卷 第2期 doi: 10.1007/s11783-021-1450-2

摘要：

• The NPs aggregation in the electrolyte solution is consistent with the DLVO theory.

关键词： Silver nanoparticles     Silver sulfide nanoparticles     Extracellular polymeric substances     Aggregation kinetics     Influence mechanisms    

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Preparation and crystallization kinetics of micron-sized Mg(OH)

Xingfu SONG, Kefeng TONG, Shuying SUN, Ze SUN, Jianguo YU

《化学科学与工程前沿（英文）》 2013年 第7卷 第2期   页码 130-138 doi: 10.1007/s11705-013-1332-7

摘要： Magnesium hydroxide is an important chemical, and is usually obtained from seawater or brine via precipitation process. The particle size distribution of magnesium hydroxide has great effects on the subsequent filtration and drying processes. In this paper, micron-sized magnesium hydroxide with high purity, large particle size and low water content in filter cake was synthesized via simple wet precipitation in a mixed suspension mixed product removal (MSMPR) crystallizer. The effects of reactant concentration, residence time and impurities on the properties of magnesium hydroxide were investigated by X-Ray diffraction (XRD), Scanning Electron Microscopy (SEM) and Malvern laser particle size analyzer. The results show that NaOH concentration and residence time have great effects on the water content and particle size of Mg(OH) . The spherical Mg(OH) with uniform diameter of about 30 μm was obtained with purity higher than 99% and water content less than 31%. Furthermore, the crystallization kinetics based on the population balance theory was studied to provide the theoretical data for industrial enlargement, and the simulation coefficients ( ) based on ASL model and C-R model are 0.9962 and 0.9972, respectively, indicating that the crystal growth rate of magnesium hydroxide can be well simulated by the size-dependent growth models.

关键词： magnesium hydroxide     precipitation     micron-sized     crystallization kinetics    

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Intrinsic kinetics and external diffusion of catalytic steam gasification of fine coal char particles

Xuantao Wu, Jie Wang

《化学科学与工程前沿（英文）》 2019年 第13卷 第2期   页码 415-426 doi: 10.1007/s11705-018-1725-8

摘要： Catalytic steam gasification of fine coal char particles was carried out using a self-made laboratory reactor to determine the intrinsic kinetics and external diffusion under varying pressures (0.1–0.5 MPa) and superficial gas flow velocities (GFVs) of 13.8–68.8 cm?s . In order to estimate the gas release rate at a low GFV, the transported effect of effluent gas on the temporal gasification rate pattern was simulated by the Fluent computation and verified experimentally. The external mass transfer coefficients ( ) and the effectiveness factors were determined at lower GFVs, based on the intrinsic gasification rate obtained at a high GFV of 55.0 cm?s . The was found to be almost invariable in a wider carbon conversion of 0.2–0.7. The variations of at a median carbon conversion with GFV, temperature and pressure were found to follow a modified Chilton-Colburn correlation: (0.04< <0.19), where is total pressure and is atmospheric pressure. An intrinsic kinetics/external diffusion integrating model could well describe the gasification rate as a function of GFV, temperature and pressure over a whole gasification process.

关键词： coal char     catalytic steam gasification     pressure     kinetics     diffusion    

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Determination of growth kinetics of microorganisms linked with 1,4-dioxane degradation in a consortium

《环境科学与工程前沿（英文）》 2022年 第16卷 第5期 doi: 10.1007/s11783-022-1567-y

摘要：

● Evaluated three methods for determining the consortia’s growth kinetics.

关键词： Biodegradation     1     4-Dioxane     Kinetics     Microbial consortium     16S rRNA    

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国产环氧沥青混合料固化强度增长规律研究

钱振东,王亚奇,沈家林

《中国工程科学》 2012年 第14卷 第5期   页码 90-95

摘要：

研究了环氧沥青混合料的强度形成机理，在此基础上对影响环氧沥青混合料强度的两个重要因素即混合料的容留时间、养生温度进行了研究，确定了不同温度下环氧沥青混合料的容留时间范围及强度增长规律；采用差示扫描量热法（DSC）测得环氧沥青结合料在不同升温速率下的动态DSC曲线，通过非线性回归求得固化动力学关键参数，建立环氧沥青结合料的固化反应模型。研究结果可以指导环氧沥青混合料的生产与施工，同时对铺装层开放交通时间的确定有参考意义。

关键词： 环氧沥青     强度增长     时温条件     固化反应模型    

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标题 作者 时间 类型 操作

Synthesis of hierarchical nanohybrid CNT@Ni-PS and its applications in enhancing the tribological, curing

Jinian Yang, Yuxuan Xu, Chang Su, Shibin Nie, Zhenyu Li

期刊论文

Multiscale model of micro curing residual stress evolution in carbon fiber-reinforced thermoset polymer

Xinyu HUI, Yingjie XU, Weihong ZHANG

期刊论文

evolutive mode-I and mode-II fracture behavior of fiber-reinforced cemented paste backfill: Effect of curingtemperature and curing time

期刊论文

The influence of curing conditions on the mechanical properties and leaching of inorganic polymers made

Remus I. Iacobescu, Valérie Cappuyns, Tinne Geens, Lubica Kriskova, Silviana Onisei, Peter T. Jones, Yiannis Pontikes

期刊论文

Synthesis of hierarchical nanohybrid CNT@Ni-PS and its applications in enhancing the tribological, curing

期刊论文

Theoretical insights into influence of additives on sulfamethoxazole crystal growth kinetics and mechanisms

期刊论文

Influence of initial curing conditions and exposure environments on chloride migration in concrete using

Wen XUE, Weiliang JIN, Hiroshi YOKOTA,

期刊论文

Combustion characteristics and kinetics of bio-oil

Ruixia ZHANG, Zhaoping ZHONG, Yaji HUANG

期刊论文

Thermal degradation kinetics and lifetime estimation for polycarbonate/polymethylphenylsilsesquioxane

Jiangbo WANG, Zhong XIN

期刊论文

Modeling the aqueous reaction kinetics of estriol with ferrate

Cong LI, Naiyun GAO

期刊论文

Influence of extracellular polymeric substances from activated sludge on the aggregation kinetics of

期刊论文

Preparation and crystallization kinetics of micron-sized Mg(OH)

Xingfu SONG, Kefeng TONG, Shuying SUN, Ze SUN, Jianguo YU

期刊论文

Intrinsic kinetics and external diffusion of catalytic steam gasification of fine coal char particles

Xuantao Wu, Jie Wang

期刊论文

Determination of growth kinetics of microorganisms linked with 1,4-dioxane degradation in a consortium

期刊论文

国产环氧沥青混合料固化强度增长规律研究

钱振东,王亚奇,沈家林

期刊论文