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  • Experimental Study of Liquid Renewal on the Sheet of Structured Corrugation SiC Foam Packing and Its Dispersion Coefficients
    Chem. Eng. Sci. (IF 2.895) Pub Date : 2018-01-16
    Hong Li, Zhiqiang Hao, Jaden Murphy, Xingang Li, Xin Gao
    更新日期:2018-01-17
  • A new approach of studying mixed gas hydrates involving propane at non-equilibrium conditions and final state: An experimental study and modeling
    Chem. Eng. Sci. (IF 2.895) Pub Date : 2018-01-16
    S. Maghsoodloo Babakhani, B. Bouillot, J. Douzet, S. Ho-Van, J.M. Herri

    Metastable clathrate hydrates are a promising energy source in the shallow geosphere and present challenges in flow assurance, energy storage, and carbon capture sequestration. While they have been widely studied, little pertinent data is available for common propane hydrates concerning hydrate phase composition, nor its volume or the amount of converted water. This was the initial motivation for our work. Therefore, with a novel technique, propane hydrate composition and volume were measured dynamically at non-equilibrium conditions over time and at the final states for slow and quick rates of crystallization. Surprisingly, equilibrium pressure, hydrate volume and composition are different according to crystallization rate. The hydrate volume and water conversion in the quick crystallization process were larger. Moreover, at a slow crystallization rate, in a hydrocarbon mixture, enclathration of propane is more considerable and the hydrate crystals appear to be more homogeneous. Furthermore, the hydrate crystallization of a gas mixture is closer to the thermodynamic equilibrium at slow crystallization rates where the impact of kinetics is slight. A new compilation of propane Kihara parameters was presented. Unlike methane, ethane and carbon dioxide, for propane we strongly recommend two Kihara parameters, one for pure and the other for mixtures of propane. A thermodynamic model based on classical van der Waals and Platteuw model was also used to investigate the effects of kinetics. The simulation results have a satisfactory accordance with the experimental data from literature to predict the hydrate equilibrium pressure. The consequence of this research could have a substantial impact on design calculations in which the assumption of thermodynamic equilibrium are done. For instance, at present there would be excess hydrates volume estimations for pipe-lines, equilibrium conditions in energy storage and transportation or carbon capture sequestration and thus increase expenses or loss of productivity where propane is concerned.

    更新日期:2018-01-17
  • Sustainable Process Design Approach for On-Purpose Propylene Production and Intensification
    ACS Sustainable Chem. Eng. (IF 5.951) Pub Date : 2018-01-16
    Ashwin Agarwal, Debalina Sengupta, Mahmoud El-Halwagi
    更新日期:2018-01-17
  • High Li+ ionic flux separator enhancing cycling stability of lithium metal anode
    ACS Sustainable Chem. Eng. (IF 5.951) Pub Date : 2018-01-16
    Rui Jin, Lixin Fu, Hualan Zhou, Zhuyi Wang, Zhengfu Qiu, Liyi Shi, Jiefang Zhu, Shuai Yuan

    The metallic lithium anode provides unparalleled opportunities for rechargeable batteries with very high energy density. A main problem hindering the development of cells using metallic lithium anodes stems from the electrochemical instability of the interface between metallic lithium and organic liquid electrolytes. This paper reports an approach rationally designing the surface characteristic of separator for stable, dendrite-free operation of lithium-metal batteries. A unique polymer multilayer PEI(PAA/PEO)3 was fabricated on the microporous polyethylene (PE) separator by a simple layer-by-layer (LbL) assembly process, which maintains the pore structure and thickness of PE separator but remarkably enhances the ionic conductivity (from 0.36 mS cm-1 to 0.45 mS cm-1) and Li+ transference number (from 0.37 to 0.48), as well as stabilizes lithium metal anodes against the reaction with liquid electrolytes during storage and repeated charge/discharge cycles, which is responsible for restraining the electrode polarization and the formation of lithium dendrites, and therefore endows lithium metal batteries with long-term cycling at high columbic efficiency and excellent rate capability, as well as the improved safety.

    更新日期:2018-01-17
  • An injectable, self-healing and stress sustainable hydrogel of BSA as a functional biocompatible material for controlled drug delivery in cancer cells
    ACS Sustainable Chem. Eng. (IF 5.951) Pub Date : 2018-01-16
    Aekta Upadhyay, Ravinder Kandi, Chebrolu Pulla Rao

    Hydrogels have been utilised in the literature in tissue engineering, drug delivery and as enzyme biomimics. Herein, we report the synthesis of a functional biomaterial using BSA as scaffold and epichlorohydrin as a cross-linker. Our hydrogels were shown by scanning electron micrographs (SEM) to exhibit tunable pore size as a function of BSA concentration and therefore are well suited to encapsulate drug molecules for delivery applications. Our hydrogel is injectable, self-healing, as well it can withstand a physical weight of ~ 300 times of its own. The Dox loading by the gel was confirmed by the emission of red fluorescence. Fibrillar kind of structures are seen in SEM for Dox loaded hydrogels showing the encapsulation of Dox inside the pores of the hydrogel. The controlled release of drug in the phosphate buffer saline medium occurs over 5 days to an extent of 35-40% at pH 5.5 and 20-25% at pH 7.4. Since our hydrogels are made of BSA as matrix, their biocompatibility was proven by MCF-7, HeLa and MDA-MB 231cells wherein 95±5% of cells were found to be viable when treated with unloaded hydrogel. However, the Dox loaded hydrogel results in 70-80% of killing in case of all the three cancer cells. Fluorescence microscopy and FACS studies support controlled and time dependent release of Dox in MCF-7 cells for 24 hours where the drug goes into cytoplasm initially followed by nucleus. The cell cycle analysis carried out using MCF-7 cells clearly showed the cell death due to apoptosis and this is by arresting the G2/M phase as a function of time. All the data supports the utility of the synthesized BSA hydrogel as a biomaterial that will find application in controlled drug delivery.

    更新日期:2018-01-17
  • A Single-Layer TiO2 Film Composed of Mesoporous Spheres for High-Efficiency and Stable Dye-Sensitized Solar Cells
    ACS Sustainable Chem. Eng. (IF 5.951) Pub Date : 2018-01-16
    Yuewu Huang, Haigang Wu, Qingjiang Yu, Jianan Wang, Cuiling Yu, Jinzhong Wang, Shiyong Gao, Shujie Jiao, Xitian Zhang, Peng Wang

    Mesoporous TiO2 spheres with high crystallinity and large specific surface area were facilely prepared via sol-gel and solvothermal methods. By tuning the time and temperature of the solvothermal process, the specific surface area and pore size of TiO2 spheres were fine-controlled without any additives. Compared with the dye-sensitized solar cell (DSC) based on the commercial P25 nanoparticles, the dye-sensitized solar cell employing optimized TiO2 spheres achieves an excellent efficiency of 10.3%, due to the outstanding dye loading and light scattering abilities as well as attenuated charge recombination. Furthermore, an impressive efficiency of 11.2% can be obtained after TiCl4 post-treatment. More importantly, in combination with a single-layer TiO2 film composed of mesoporous spheres and low-volatility electrolyte, the DSC exhibits high a efficiency and long-term durability.

    更新日期:2018-01-17
  • Activation of Persulfates Using Siderite as a Source of Ferrous Ions: Sulfate Radical Production, Stoichiometric Efficiency, and Implications
    ACS Sustainable Chem. Eng. (IF 5.951) Pub Date : 2018-01-16
    Yong Feng, Deli Wu, Hailong Li, Jianfeng Bai, Yi-bo Hu, Chang-Zhong Liao, Xiao-yan Li, Kaimin Shih

    Ferrous ions (Fe2+) rapidly activate persulfates to produce sulfate radicals. However, the high reactivity of Fe2+ towards sulfate radicals means that they are easily scavenged, which reduces the stoichiometric efficiency of persulfates. To improve the stoichiometric efficiency, siderite was used to activate peroxydisulfate (PDS) and peroxymonosulfate (PMS), with phenol as a model contaminant. Near-100% degradation of phenol was achieved by siderite-activated PDS or PMS. In contrast, only 34% and 25% of the phenol was degraded by Fe2+- and nanoscale-magnetite-activated persulfates, respectively. The stoichiometric efficiencies of PMS and PDS activated by siderite were more than 4.4 and 3.6 times higher, respectively, than those activated by Fe2+. Electron paramagnetic resonance recorded both sulfate radicals and hydroxyl radicals. The effects of pH, iron dissolution, and scavenging were characterized, and the results indicated that siderite mainly activated persulfates by acting as a source of Fe2+, and that sulfate radicals were the major active species. The release of Fe2+ and the production of sulfate radicals were controllable via the pH of the solution. No deactivation occurred when the siderite was reused, because the acidic environment partially dissolved the surface. These findings may facilitate the application of iron-bearing materials for sulfate radical production.

    更新日期:2018-01-17
  • Determination of the DBTT of nanoscale ZrC doped W alloys through amplitude-dependent internal friction technique
    Mater. Sci. Eng. A (IF 3.094) Pub Date : 2018-01-17
    H.L. Ding, Z.M. Xie, Q.F. Fang, T. Zhang, Z.J. Cheng, Z. Zhuang, X.P. Wang, C.S. Liu

    In this paper, 1 mm thick W-0.5wt.%ZrC alloy plates were prepared by mechanical milling, hot pressing sintering and multistep hot and cold rolling. A newly developed testing technique based on the amplitude-dependent internal friction (ADIF) was used to determine the ductile-to-brittle transition temperature (DBTT) of this W-0.5wt%ZrC alloy. The DBTT obtained by ADIF technique is in the range of 50 to 80 °C, which is in consistence with the tensile tests. Qualitative relationship between the critical strain amplitude in ADIF and the yield stress in tensile test was also found. The ADIF technique was confirmed to be an available method to determine the DBTT of the materials. Microstructure analysis indicated that the relative low DBTT and the high strength of the W-0.5wt%ZrC alloy plates were resulted from the multistep hot and cold rolling and nanoscale particle pinning effects.

    更新日期:2018-01-17
  • Fatigue damage and fracture behavior of metallic glass under cyclic compression
    Mater. Sci. Eng. A (IF 3.094) Pub Date : 2018-01-17
    X.D. Wang, R.T. Qu, S.J. Wu, Z.Q. Liu, Z.F. Zhang

    A comprehensive understanding on the fatigue behavior of metallic glasses (MGs) is of vital importance for their structural applications. Here we present a systematic study on the fatigue damage and fracture behavior of a Zr52.5Cu17.9Ni14.6Al10Ti5 MG under cyclic compression of different stress levels, with the assistance of 3D X-ray tomography (XRT) and 2D scanning electron microscope to examine the origins of fatigue cracks. The results indicate that the fatigue fracture mode of the MG depends strongly on the stress level in such a manner similar to that of high-strength steels. The MG exhibits shear fracture along shear band under high cyclic stress level, just like the case for monotonic compression; under low cyclic stress level, in contrast, the fracture is dominated by splitting where the fatigue cracks originate from extrinsic defects. The increased propensity for cavitation and cracking under low stress level, as revealed by XRT, suggests a reduced resistance of the MG to cleavage failure which eventually leads to the transition of the fatigue fracture mode. The results support the idea that the fatigue performance of MGs can be improved by reducing the extrinsic defects and properly controlling the shear banding behavior.

    更新日期:2018-01-17
  • Effect of prior deformation on the subsequent creep and anelastic recovery behaviour of an advanced martensitic steel
    Mater. Sci. Eng. A (IF 3.094) Pub Date : 2018-01-17
    E. Hosseini, V. Kalyanasundaram, X. Li, S.R. Holdsworth

    The creep and anelastic recovery characteristics of a 10%Cr steel have been systematically investigated at 600 °C after subjecting the test material to various prior deformation histories. Constant-load forward creep tests on specimens, either with a tensile or compressive preloading history, indicated that over- and reverse-preloading respectively decreases and increases the early primary creep rate of the steel. The extent of decrease (or increase) in early primary creep rate is also found to be directly proportional to the magnitude of stress during prior loading while such a correlation is not clearly evident for material deformation in the secondary and tertiary stages. Specifically, the creep rate in the secondary and tertiary stages is lower for specimens with a compressive prior loading while the rupture time is notably shorter for tensile pre-loaded specimens. The observed effect of prior loading on the early primary creep behaviour can be explained by considering micro-backstress development (as a consequence of dislocation pile-up formation during the prior loading phase) that subsequently introduces a kinematic hardening effect to the material's viscoplastic response. The second set of experiments involve monitoring the anelastic recovery behaviour immediately after accumulation of a similar amount of time-dependent strain either under forward creep (load control mode) or stress relaxation (strain control mode) condition in completely unloaded 10%Cr steel specimens at 600 °C. Experimental observations indicate that the higher the stress magnitude during the prior loading phase the greater and faster the anelastic recovery at zero stress. Further findings show the mode of prior deformation (creep or relaxation) to also not noticeably influence the subsequent anelastic recovery behaviour. The observed anelastic recovery characteristic can be mechanistically interpreted by consideration of the time-dependent material back-flow due to the relaxation of dislocation bows and pile-ups generated during the prior deformation.

    更新日期:2018-01-17
  • Microstructure and tensile behavior of friction-stir welded TRIP steel
    Mater. Sci. Eng. A (IF 3.094) Pub Date : 2018-01-17
    S. Mironov, Y.S. Sato, S. Yoneyama, H. Kokawa, H.T. Fujii, S. Hirano

    In this work, electron backscatter diffraction and digital image correlation techniques were employed to study the microstructure and microstructure-property relationship in friction-stir welded TRIP steel. It was found that the thermal effect of the welding process led to material softening in the heat-affected zone and promoted martensite transformation in the stir zone. These microstructural changes provided rapid strain localization during subsequent transverse tensile tests and thus resulted in premature failure of the welds. Material softening in the heat-affected zone was deduced to be a combined result of dissolution and spheroidisation of retained austenite as well as recovery in bainitic ferrite. The stir zone martensite was characterized by significant orientation spread and therefore its orientation relationship with austenite essentially deviated from the ideal Kurdjumov-Sachs relation. Moreover, the martensite transformation was found to be influenced by variant selection.

    更新日期:2018-01-17
  • Microstructural evolution and mechanical property of a Ni-Fe-based weld metal during long-term exposure at 650? and 700?
    Mater. Sci. Eng. A (IF 3.094) Pub Date : 2018-01-17
    Dong Wu, Dianzhong Li, Shanping Lu

    A newly developed Ni-Fe-based weld metal has been researched for the microstructural and mechanical evolutions during prolonged thermal exposure using scanning electron microscopy and transmission electron microscopy. The M23C6-carbides precipitated at grain boundaries and around the primary (Nb, Ti)C phases in the Ni-Fe-based weld metal during prolonged exposure at 650°C and 700°C. The Cr, Mo-rich sigma(σ) and Cr-rich α-Cr formed as platelets and mainly located in the interdendritic areas during the exposure. σ phase had the orientation relationships of [001]γ//[ View the MathML source 11 2 ̅ ]σ, View the MathML source ( 2 ̅ 2 0 ) γ// View the MathML source ( 1 ̅ 1 0 ) σ and View the MathML source ( 2 ̅ 2 ̅ 0 ) γ//(111) ( 1 1 1 ) σ with the γ matrix. Higher (Al + Ti) content accelerated the precipitation of these Cr-rich phases and resulted in a significant deterioration of tensile ductility after 5000 h at 700°C. Precipitating and coarsening of spherical γ′ dominated the tensile strength evolution and the optimized γ′ radius with the best tensile strength was estimated to be 21~25 nm. (Al + Ti) content had no obvious effect on the γ′ coarsening rate but it affected the γ′ particle density Ns in two sides: On the one hand, higher (Al + Ti) content increased the Ns, which increased the 0.2% yield strength (Rp0.2)and tensile strength ( Rm). On the other hand, higher (Al + Ti) content increased the amount of σ phases which induced the γ′ envelopes to form and resulted in the decrease of Ns, and it would decreased the Rp0.2 and Rm.

    更新日期:2018-01-17
  • Mechanical and thermal properties of C/C composites modified with SiC nanofiller
    Mater. Sci. Eng. A (IF 3.094) Pub Date : 2018-01-16
    Danuta Mikociak, Arkadiusz Rudawski, Stanislaw Blazewicz

    The paper deals with carbon/carbon composites (C/C) modified with a ceramic nanofiller designed for high temperature applications. The C/C samples were manufactured from a coal tar pitch precursor (CTP) modified with a silicon carbide in the form of nanopowder (SiC). Carbon fibers were used as a reinforcement. The composite samples containing differing amount of the ceramic nanofiller were manufactured. The mechanical properties, thermal conductivity and oxidation resistance of C/C composites before and after modification with nanoSiC were determined. The structure and microstructure of the composites were examined using X-ray diffraction and SEM with EDS technique. The presence of the ceramic nanoparticles in carbon matrix precursor decreased the total porosity of carbon composites and redistributed pore sizes after annealing to 1000 °C. CTP-derived carbon matrix was composed from two carbon components that differed in crystallographic parameters. Modified C/C composites performed distinctly higher mechanical properties, thermal conductivity and oxidation resistance in comparison with the pure carbon/carbon samples.

    更新日期:2018-01-17
  • Stationary Shoulder Supporting and Tilting Pin Penetrating Friction Stir Welding
    J. Mater. Process. Tech. (IF 3.147) Pub Date : 2018-01-17
    Huijie Liu, Yanying Hu, Huan Wang, Shuaishuai Du, Dusan P. Sekulic
    更新日期:2018-01-17
  • Electrochemical micromachining on titanium using the NaCl-containing ethylene glycol electrolyte
    J. Mater. Process. Tech. (IF 3.147) Pub Date : 2018-01-17
    Weidong Liu, Hui Zhang, Zhen Luo, Chunfeng Zhao, Sansan Ao, Feng Gao, Yubo Sun

    Titanium has been widely applied in industry owing to its excellent properties such as low density, high strength, and corrosion resistance. Compared with traditional mechanical methods, electrochemical micromachining (EMM) has some inherent advantages for the shaping of hard metallic materials; therefore, it is a promising method for the micromachining of titanium. However, the high corrosion resistance of titanium owing to its stable oxide film is a drawback during EMM. To overcome this limitation, a novel electrolyte, NaCl-containing ethylene glycol (EG) solution, was applied in this study. The polarization behavior of titanium in the NaCl water-based and ethylene-glycol-based solutions was comparatively analyzed. In contrast to that in the water-based solution, no oxide film was formed during anodization in the NaCl-containing EG solution. This characteristic could potentially improve the machining performance of the EMM of titanium. Subsequently, the effect of the main process parameters on the machining performance was investigated. Accordingly, peak voltage of 40 V, pulse width of 25 μs, and feeding rate of 1 μm s-1 were selected as the optimum parameters. Using the optimum parameters, a high-quality microhole with 149.5 μm average diameter, 300 μm depth, and 7.6º taper angle was successfully EMM machined on titanium.

    更新日期:2018-01-17
  • Optimal Operation of Parallel Distillation Systems with Multiple Product Grades: An Industrial Case Study
    Comput. Chem. Eng. (IF 3.024) Pub Date : 2018-01-17
    Yingyan Luo, Qi Zhang, Lingyu Zhu, Xi Chen

    In the fine chemical industry, customers often demand different grades with different purity specifications. To achieve the best performance, the production tasks should be assigned to different distillation columns at the most suitable operating conditions and time periods. In this paper, an optimal scheduling method is presented through an industrial case study with multiple products and parallel distillation columns. Rigorous nonlinear models are built for each distillation column and validated with plant data, based on which, a reduced-order model is obtained with data of optimal operating points at various conditions. The reduced-order model is then incorporated into a mode-based discrete-time mixed integer linear program (MILP) scheduling model, where transitions between different operating modes are specified based on plant data. The MILP-based scheduling is applied to a real-word industrial case study to demonstrate its computational efficiency and effectiveness in improving economic performance with comparison to two heuristic scheduling methods.

    更新日期:2018-01-17
  • Selective Reduction of NO3--N from Wastewater to N2 by Zn/Ag Bimetallic Particles Combined with Wet Ammonia Oxidation Process
    Sep. Purif. Technol. (IF 3.359) Pub Date : 2018-01-17
    Lu Fan, Shixiang Wang, Yanlan Liu, Wenjing Yang, Xianyu Hou, Ying Su, Yi Zhao, Xuan Zhou, Qian Chen, Yong Liu
    更新日期:2018-01-17
  • Efficiency evaluation of arsenic(III) adsorption of novel graphene oxide@iron-aluminium oxide composite for the contaminated water purification
    Sep. Purif. Technol. (IF 3.359) Pub Date : 2018-01-16
    Sweta Maji, Ayan Ghosh, Kaushik Gupta, Abir Ghosh, Uttam Ghorai, Angshuman Santra, Palani Sasikumar, Uday Chand Ghosh

    Prolong consumption of arsenic-rich drinking water causes serious health problem. Aiming to minimize the problem, it is attempted to develop cheap and advanced materials for arsenic extraction from the contaminated water. Thus, multifunctional graphene oxide (GO)-incorporated iron-aluminium mixed oxide (GIAMO) composite has been prepared with five different GO content, and evaluated by batch method for the arsenic(III) removal efficiency. Among the as-prepared GIAMO samples, three samples consisting 1.0, 2.0 and 3.0 g of GO show equally good (92 – 95%) arsenic(III) removal efficiency, which is 30-35% higher than pristine iron-aluminium oxide (IAMO) from an aqueous solution (5.0 mg AsIII.L-1) at pH 7.0 (± 0.2) and 303 K. Thus, 1.0 g GO-inserted GIAMO (GIAMO-1) sample was characterized as microcrystalline (10-15 nm) with BET surface area about 1.45 times higher than IAMO and investigated for the arsenic(III) adsorption. Optimized pH for arsenic(III) adsorption is 6.0-8.0. The kinetic data agree more closely with pseudo-first order equation (R2 = 0.98-0.99) than pseudo-second order equation (R2 = 0.92-0.93). The equilibrium data describe the Langmuir isotherm (R2 = 0.97-0.98) better than the Freundlich isotherm (R2 = 0.91-0.92), showing the Langmuir monolayer capacity 42.2836 mg. g-1 at 293 K which drops to 24.9170 mg. g-1 at 313K. High negative enthalpy change (ΔH° ∼ -224 kJ. mol-1) is responsible for the spontaneous reaction (ΔG0 = negative) despite unfavorable entropy change (ΔS° = -0.71 kJ. mol-1). The order of competitive effect of PO43-, SO42- and HCO3- on arsenic(III) removal efficiency is PO43->SO42->HCO3-. However, the high HCO3- (> 200 mg. L-1) enhances the arsenic(III) removal efficiency of this material. 2.0M NaOH can regenerate arsenic adsorbed GIAMO-1 only up to 50-60%. 0.65 g. of composite per L of high arsenic (Astotal: 0.115 mg L-1) groundwater can upgrade to potable standard, encouraging possible safe use for high arsenic water treatment. Highly negative enthalpy change, poor regeneration, FTIR, XRD and CV analyses of arsenic-rich solid suggested that arsenic(III) is stabilized over the solid surface without oxidation by surface complex formation.

    更新日期:2018-01-17
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  • Modification of montmorillonite nanolayers as a pH-responsive carrier of biomolecules: Delivery of vitamin B12
    J. Taiwan Inst. Chem. E. (IF 4.217) Pub Date : 2018-01-17
    Zahra Ramazani Afarani, Mehdi Nasiri Sarvi, Mozhgan Akbari Alavijeh
    更新日期:2018-01-17
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  • Redox Induced Fluorescence On–Off Switching Based on Nitrogen Enriched Graphene Quantum Dots for Formaldehyde Detection and Bioimaging
    ACS Sustainable Chem. Eng. (IF 5.951) Pub Date : 2018-01-16
    Hui-Jun Li, Xiong Sun, FengFeng Xue, Nanquan Ou, Bo-Wen Sun, Dong-Jin Qian, Meng Chen, Ding Wang, JunHe Yang, XianYing Wang
    更新日期:2018-01-16
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  • High-Performance Triboelectric Nanogenerator with Double-Surface Shape-Complementary Microstructures Prepared by Using Simple Sandpaper Templates
    ACS Sustainable Chem. Eng. (IF 5.951) Pub Date : 2018-01-16
    Xu-Wu Zhang, Gui-Zhong Li, Gui-Gen Wang, Ji-Li Tian, Yi-Lin Liu, Da-Ming Ye, Zheng Liu, Hua-Yu Zhang, Jie-Cai Han
    更新日期:2018-01-16
  • Toward Preventing Accidents in Process Industries by Inferring the Cognitive State of Control Room Operators through Eye Tracking
    ACS Sustainable Chem. Eng. (IF 5.951) Pub Date : 2018-01-16
    Laya Das, Mohd Umair Iqbal, Punitkumar Bhavsar, Babji Srinivasan, Rajagopalan Srinivasan
    更新日期:2018-01-16
  • Surface Modification of Basalt Fiber with Organic/Inorganic Composites for Biofilm Carrier Used in Wastewater Treatment
    ACS Sustainable Chem. Eng. (IF 5.951) Pub Date : 2018-01-16
    Xiaoying Zhang, Xiangtong Zhou, Huicheng Ni, Xinshan Rong, Qian Zhang, Xiang Xiao, Huan Huan, Jun Feng Liu, Zhiren Wu
    更新日期:2018-01-16
  • Use of Biogenic Silica in Porous Alginate Matrices for Sustainable Fertilization with Tailored Nutrient Delivery
    ACS Sustainable Chem. Eng. (IF 5.951) Pub Date : 2018-01-16
    Mailson de Matos, Bruno D. Mattos, Blaise L. Tardy, Orlando J. Rojas, Washington L. E. Magalhães
    更新日期:2018-01-16
  • A statistical approach for the identification of cellulolytic enzyme inhibitors using switchgrass dilute acid prehydrolyzates as a model system
    ACS Sustainable Chem. Eng. (IF 5.951) Pub Date : 2018-01-16
    Angele Djioleu, Danielle Julie Carrier

    The identification of biomass pretreatment-generated compounds that impede cellulose hydrolysis is critical for improving the overall biomass saccharification process. The aim of this study was to correlate the identification and concentrations of switchgrass dilute acid pretreatment-generated compounds to cellulolytic enzyme inhibition and to tie this back to processing parameters. Twenty-four dilute acid prehydrolyzates were prepared with switchgrass at temperatures from 140°C to 180°C, processing times from 10 to 40 min, and sulfuric acid concentrations of 0.5% or 1% (v/v). Results showed that all the switchgrass prehydrolyzates significantly reduced cellulolytic enzyme activities when assayed against model substrates. Exoglucanase was the most sensitive with its activity reduction, ranging from 58% to 88%; the inhibitory effect on β-glucosidase and the cellulase cocktail ranged from 32% to 63% and 16% to 41%, respectively. Polyphenolic compounds were the most detrimental pretreatment-generated products to the cellulolytic enzymes, especially to exoglucanase. Limited enzyme inhibition, with acceptable biomass digestibility were observed with pretreatment conditions corresponding to 160°C. The statistical based approach used in this study proved to be a valid method to assess the effect of pretreatment-generated compounds on cellulolytic enzyme activities, linking their generation to pretreatment processing parameters.

    更新日期:2018-01-16
  • A green approach to produce graphene thin film on conductive LCD matrix for the oxidative transformation of ciprofloxacin
    ACS Sustainable Chem. Eng. (IF 5.951) Pub Date : 2018-01-16
    Govindaraj Divyapriya, Prabhu Thangadurai, Indumathi M Nambi

    This study demonstrates the use of disposed Liquid Crystal Display (LCD) glass as a supporting matrix for the fabrication of binder/linker free thin film graphene electrode. Graphene oxide (GO) was drop casted onto the LCD matrix and electrochemically reduced to form ErGO−LCD electrode which was subsequently employed for the electro-Fenton oxidation of ciprofloxacin. Fourier transform infrared spectrum confirm the presence of (i) functional groups such as C=O, N–H, C≡N, C–N on LCD matrix (ii) attachment of GO onto the LCD and (iii) reduction of oxygen functionalities at the surface of ErGO–LCD electrode. Raman and X-ray photoelectron spectroscopy were performed to examine the nature and chemical composition of GO−LCD and ErGO−LCD electrodes. Cyclic voltammetry and electrochemical impedance spectroscopic studies revealed that the enhancement of oxidation-reduction properties and reduction of charge transfer resistance (Rct 17 Ω) in the presence of [Fe(CN)6]3−/4− redox species. Electro-Fenton results revealed that the high concentration of H2O2 (45 mg L─1) was produced at acidic pH as compared to neutral (20 mg L−1) or alkaline (15 mg L−1) condition. Furthermore, higher current efficiency for the production of H2O2 was found at −1.0 V (63%) as compared to −1.5 V (59%) and −2.0 V (51%). Degradation studies showed >99% removal of ciprofloxacin was observed at pH 3.5 as compared to pH 7.0 (92%) or pH 9.0 (77%) at −1.5 V. The reuse experiments suggested that the electrode is stable and reusable for more than 7 cycles of experiments. The average pseudo first order kinetic rate constant for seven cycles of reuse was found to be 0.017 min─1.

    更新日期:2018-01-16
  • NH2OH-Mediated Lignin Conversion to Isoxazole and Nitrile
    ACS Sustainable Chem. Eng. (IF 5.951) Pub Date : 2018-01-16
    Hongji Li, Min Wang, Huifang Liu, Nengchao Luo, Jianmin Lu, Chaofeng Zhang, Feng Wang

    Conversion of lignin to aromatic compounds via C-C/C-O bond cleavage has been an attractive but challenging subject in recent years. We herein report the first protocol that converts lignin model and pre-oxidized lignin to isoxazole and aromatic nitrile. Isoxazole motif is constructed by β-hydroxyl ketone condensation with hydroxylamine. Magnesium oxide promotes oximation reaction and an intramolecular condensation. Aromatic nitriles and esters are obtained via Beckmann rearrangement or acidolysis reaction depending on selected additive. The hydroxylamine-mediated strategy works well for the pre-oxidized lignin conversion to aromatic isoxazole, nitrile and ester monomers with up to 7.6% yield.

    更新日期:2018-01-16
  • Structural Characterization of Loblolly Pine derived Biochar by X-ray Diffraction and Electron Energy Loss Spectroscopy
    ACS Sustainable Chem. Eng. (IF 5.951) Pub Date : 2018-01-16
    Seunghyun Yoo, Stephen Kelley, David Tilotta, Sunkyu Park

    Biochar from lignocellulosic biomass is emerging as a sustainable material with versatile applications, but its detailed property is poorly understood due to the structural complexity. We propose a biochar structural development model based on the experimental results including composition analysis, surface area/pore analysis, x-ray diffraction analysis, electron microscope imaging, and electron energy loss spectroscopy. Loblolly pine derived biochars were produced at different carbonization temperatures from 300 to 1,000℃. Fixed carbon, sp2 content, and number of graphene layer increased with the increased carbonization temperature. Alternating average C-C bond length, interlayer spacing distance, and layer coherence length were observed. Bulk plasmon excitation energy was correlated to the average C-C bond length that it serves as a good indicator of the carbon structure development. Based on the experimental results, four different structural development phases are identified, which provide a comprehensive understanding of biochar nano-carbon crystallite development. Unlike previous biochar structure models, which proposed radially growing polyaromatic carbon crystallite, we propose a lengthwise growing polyaromatic carbon crystallite model. This experimental-based biochar model should be helpful when determining structure of unknown biomass derived carbon materials and disordered pyrolytic carbon materials.

    更新日期:2018-01-16
  • Exploit Carbon Materials to Accelerate Initiation and Enhance Process Stability of CO Anaerobic Open-Culture Fermentation
    ACS Sustainable Chem. Eng. (IF 5.951) Pub Date : 2018-01-16
    Fan Lü, Ke-jian Guo, Hao-wen Duan, Li-ming Shao, Pin-Jing He

    The aim of this study was to investigate the possibility of improving anaerobic fermentation of carbon monoxide (CO), a dominant component in syngas, through the assistance of different carbon materials (activated carbon, biochar, graphene, carbon cloth, and carbon fibre). Results showed that only biochar and activated carbon could promote CO utilization when the pCO increased from 0.07 to 0.21 atm and promoted CO methanization but was delayed until the pCO further increased from 0.21 to 0.41 atm. Compared to the control without carbon material addition, the CO conversion rate increased by up to 149% and 193% and the methane (CH4) production rate was up to 238% and 186%, respectively, for the biochar and activated carbon scenarios. Graphene and carbon cloth did not accelerate CO utilization but could stabilize the bio-reaction at a high pCO. Natural stable carbon isotope signals revealed that CH4 production from CO was mainly via acetate at low pCO and via hydrogen at high pCO. Result from high-throughput sequencing showed that biochar and activated carbon boosted the growth of Rikenellaceae and Thiobacillus in the solid phase. Synergistaceae which can be in co-culture with Methanobacterium was boosted in the liquid phase in biochar group and activated carbon group.

    更新日期:2018-01-16
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  • Delivery of Hydrophobic Anticancer Drugs by Hydrophobically Modified Alginate Based Magnetic Nanocarrier
    Ind. Eng. Chem. Res. (IF 2.843) Pub Date : 2018-01-16
    Ali Pourjavadi, Shiva Sadat Amin, Seyed Hassan Hosseini
    更新日期:2018-01-16
  • Fabrication of Z-Scheme Fe2O3–MoS2–Cu2O Ternary Nanofilm with Significantly Enhanced Photoelectrocatalytic Performance
    Ind. Eng. Chem. Res. (IF 2.843) Pub Date : 2018-01-16
    Yanqing Cong, Yaohua Ge, Tongtong Zhang, Qi Wang, Meiling Shao, Yi Zhang
    更新日期:2018-01-16
  • Optimal Start-Up Policies for a Solar Thermal Power Plant
    Ind. Eng. Chem. Res. (IF 2.843) Pub Date : 2018-01-16
    Maricarmen López-Alvarez, Antonio Flores-Tlacuahuac, Luis Ricardez-Sandoval, Carlos Rivera-Solorio
    更新日期:2018-01-16
  • Overcoming the Engineering Constraints for Scaling-Up the State-of-the-Art Catalyst for Tail-Gas N2O Decomposition
    Ind. Eng. Chem. Res. (IF 2.843) Pub Date : 2018-01-16
    Ignacio Melián-Cabrera, Silvia Espinosa, Cristina Mentruit, Blaine Murray, Lorena Falco, Joseph Socci, Freek Kapteijn, Jacob A. Moulijn
    更新日期:2018-01-16
  • Effects of poly(vinyl chloride) morphological properties on the rheology/aging of plastisols and on the thermal/leaching properties of films formulated using non-conventional plasticizers
    Ind. Eng. Chem. Res. (IF 2.843) Pub Date : 2018-01-16
    Sofia Marceneiro, Rafael Alves, Irene Lobo, Isabel Dias, Elizabete Pinho, Ana M.A. Dias, Maria G. Rasteiro, Herminio C. C. de Sousa

    There is an emergent demand for the replacement of petroleum-based plasticizers by equivalent non-toxic, biodegradable and environmentally friendly alternatives, presenting reduced leaching/volatilization profiles, while maintaining the performance of the plasticized materials. The efficiency of the plasticization process depends predominantly on the strength of the polymer-plasticizer interactions, which ultimately depend on the intrinsic physicochemical properties of the plasticizer, but also of the polymer. The aim of this work was to study the influence of the morphological properties of emulsion and micro-suspension poly(vinyl chloride) (PVC) and of non-conventional greener plasticizers on the rheological/aging properties of PVC-based plastisols and on the thermal and plasticizer leaching properties of films obtained from those plastisols. For that purpose two emulsion (with different K values) and one micro-suspension PVC grades were formulated with two commercially available castor oil based plasticizers (CITROFOL® AHII and GRINDSTED® SOFT-N-SAFE) and a phosphonium-based ionic liquid (trihexyl(tetradecyl)phosphonium bistriflamide, [P6,6,6,14][Tf2N]) which was used as a co-plasticizer. Plastisols formulated with the conventional plasticizer di-isodecyl phthalate (DIDP) were also prepared for comparison. Obtained results showed that the highest shear rates and plastisol aging were observed for plastisols formulated using the lower molecular weight emulsion PVC grade (E70-PVC) and the conventional plasticizer DIDP. The E70-PVC systems formulated using DIDP and citrate-based plasticizer presented a pseudo-plastic behavior while all the other systems presented a Newtonian profile. Lower mixing enthalpies were also calculated for PVC/DIDP systems, indicating more favorable interactions for PVC/phthalate systems over non-conventional plasticizers. This result may justify the non-effective gelation observed for some of the PVC/non-conventional plasticizer systems studied in this work. The incorporation of [P6,6,6,14][Tf2N] as a co-plasticizer significantly decreased the enthalpy of mixing of all the prepared plastisols, showing that its presence in the formulations may favor PVC/plasticizer interactions. Moreover PVC films obtained from plastisols formulated using this ionic liquid presented higher long-term thermal stability due to its negligible vapor pressure that avoids loss during usage.

    更新日期:2018-01-16
  • Effects of Compressed CO2 and Cotton Fibers on the Crystallization and Foaming Behaviors of PLA
    Ind. Eng. Chem. Res. (IF 2.843) Pub Date : 2018-01-16
    Xiaoli Zhang, Weidan Ding, Na Zhao, Jingbo Chen, Chul B Park

    The foaming behavior and thermal properties of neat PLA and PLA/cotton-fiber composite foams were investigated in this study. CO2 saturation pressure, temperature, and fibers content significantly affected the PLA’ crystallinity and foaming behaviors. At the same saturation temperature (140 °C), a low CO2 pressure generated non-uniform foam and a large unfoamed area due to too high crystallinity with a close-packed structure. At an intermediate pressure, a fine-cell structure was developed due to the presence of numerous less closely-packed crystals served as cell nucleating agents. A high CO2 pressure also led to a uniform cell structure but with larger cell sizes due to cell deterioration. Similar to the effect of saturation pressure, an intermediate temperature generated the uniform fine-cell structures. The PLA’s cell morphology was improved by the addition of cotton fibers at a low content because of the increased local stresses through the fibers and transcrystals surrounding the fibers.

    更新日期:2018-01-16
  • Merits of the addition of PTFE micropowder in scCO2 foaming of polypropylene: ultra-high cell density, high tensile strength and good sound insulation
    Ind. Eng. Chem. Res. (IF 2.843) Pub Date : 2018-01-16
    Chenguang Yang, Zhe Xing, Mouhua Wang, Quan Zhao, Guo-Zhong Wu

    Ultra-high-cell-density polypropylene foam was prepared by supercritical CO2 foaming in the presence of porous polytetrafluoroethylene (PTFE) micropowder. The voids of PTFE microparticles were filled with scCO2, causing them to split into multiple granules due to the force of its expansion during the pressure release, resulting in the formation of a large number of nucleation sites. The cell density of this foam reached 1010~1011 cells/cm3, which was 2 to 5 orders of magnitude higher than pristine PP foam. We proposed that the nanoscale granules resulting from the splitting of PTFE microparticles, and the growth of nucleated small cells generated the local strain field variation in the multiple-phase system were responsible for the considerably increased nucleation number of PP foaming. Additionally, the tensile strength and sound absorption property of PP/PTFE foam were largely enhanced and the preparation of ultra-high-cell-density PP/PTFE foam was easily controlled over a wider foaming temperature window.

    更新日期:2018-01-16
  • Conversion of Furfuryl Alcohol to Levulinic Acid in Aqueous Solution Catalyzed by Shell Thickness-Controlled Arenesulfonic Acid Functionalized Ethyl-Bridged Organosilica Hollow Nanospheres
    ACS Sustainable Chem. Eng. (IF 5.951) Pub Date : 2018-01-15
    Sai An, Daiyu Song, Yingnan Sun, Qingqing Zhang, Panpan Zhang, Yihang Guo

    A series of arenesulfonic acid functionalized ethyl-bridged organosilica hollow nanospheres, ArSO3H-Et-HNS, with different shell thicknesses (2-6 nm) were successfully fabricated by P123 and/or F127-directed sol-gel co-condensation route and carefully controlled molar composition of the starting materials in the synthetic gel. The ArSO3H-Et-HNS were applied in the synthesis of levulinic acid (LA) from the hydrolysis of furfuryl alcohol (FAL), and the influence of experimental parameters including solvent nature, volume ratio of FAL-to-solvent-to-water, shell thickness of hollow nanospheres and reaction temperature were considered. The hydrolysis activity of the ArSO3H-Et-HNS outperformed commercially available HY-zeolite, Amberlyst-15 and p-toluenesulfonic acid, regardless of the shell thickness of the hollow nanospheres; additionally, P123-directed ArSO3H-Et-HNS with the thinnest shell (2 nm) and the largest BET surface area (529 m2 g–1) exhibited the highest hydrolysis activity among various ArSO3H-Et-HNS nanohybrids, and under the conditions of 0.72 mol L-1 FAL in 4:1 acetone-H2O, 3 wt% catalyst and 120 oC, the yield of LA reached 83.1% after the reaction proceeded for 120 min. The excellent hydrolysis activity of the ArSO3H-Et-HNS was explained in terms of the strong Brønsted acid nature, unique hollow spherical nanostructures with opening shell and hydrophobic surface. Based on the catalytic test results and the identified intermediates, the reaction mechanism of the ArSO3H-Et-HNS-catalyzed hydrolysis of FAL to LA was tentatively revealed. Finally, the reusability of the ArSO3H-Et-HNS was studied through three consecutive catalytic cycles.

    更新日期:2018-01-16
  • Ultrasound Assisted Hydrotropic Extraction: A Greener Approach for the Isolation of Geraniol from the Leaves of Cymbopogon martinii
    ACS Sustainable Chem. Eng. (IF 5.951) Pub Date : 2018-01-15
    Miral R. Thakker, Jigisha K. Parikh, Meghal A Desai

    Geraniol, a prime constituent in the leaves of Cymbopogon martinii, has the varied range of biological activities and applications. For the selective isolation of geraniol, a newer concept of combining hydrotropic extraction with ultrasound was adopted. This was conceptualized to reduce the time of extraction and hydrotrope requirement while maintaining the quality of the product. Sodium cumene sulfonate was selected as a suitable hydrotrope amongst sodium cumene sulfonate, sodium salicylate, sodium salt of para toluene sulfonic acid and resorcinol using the solubilization study. The screening of extraction parameters viz., ultrasound amplitude, cycle time, volume of hydrotropic solution, hydrotropic concentration, ultrasonic power and sonication time was carried out using the Taguchi method. Optimization of process parameters was performed using central composite response surface design. 1.9012 % (w/w) yield of geraniol was obtained under optimized conditions (65 % ultrasound amplitude, 65 mL volume of 1 M aqueous solution of sodium cumene sulfonate, 60 W ultrasound power, 70 % cycle time and 16 min of sonication time). A microscopic study was also performed to understand the extraction mechanism. Ultrasound assisted hydrotropic extraction turned out to be the best sustainable alternative compared to the hydrotropic extraction because of shortening of extraction time and reduction in hydrotrope concentration.

    更新日期:2018-01-16
  • Laser irradiated vortex fluidic mediated synthesis of luminescent carbon nanodots under continuous flow
    React. Chem. Eng. Pub Date : 2018-01-15
    Xuan Luo, Ahmed Hussein Mohammed Al-Antaki, Kasturi Vimalanathan, Jillian Moffatt , Kun Zheng, Yi-Chao Zou, Jin Zou, Xiaofei Duan, Robert Lamb, Dr. Shujun Wang, Qin Li, Wei Zhang, Colin L Raston

    Carbon nanodots (CDs) with size dependent fluorescence are synthesized from multi-walled carbon nanotubes (MWCNTs) under continuous flow in a vortex fluidic device (VFD) when irradiated by a pulsed laser with a wavelength of 1064 nm, without subsequent passivation procedures. The CDs have a relatively narrow size distribution averaging ca. 6 nm in diameter, and have low cytotoxicity and high colloidal stability with the highest emission intensity of the solution at 450 nm under a 345 nm excitation wavelength. Further downstream processing on the as-processed CDs revealed tunability of the emission from 450 nm to 325 nm.

    更新日期:2018-01-15
  • Efficient Kinetic Experiments in Continuous Flow Microreactors
    React. Chem. Eng. Pub Date : 2018-01-15
    Kosi C Aroh, Klavs F Jensen

    Flow chemistry is an enabling technology that can offer an automated and robust approach for the generation of reaction kinetics data. Recent studies have taken avantage of transient flows to quickly generate concentration profiles with various online anlytical tools. In this work, we demonstrate an improved method where temperature and flow are transient throughout the reaction. It was observed that only two orthogonal temperature ramp experiments under the same transient flows condition were sufficient to characterize a Paal-Knorr (one step bimolecular) reaction within our chosen reaction space. This method further shortens the time and decreases materials needed to collect sufficient kinetic data and provides a framework with which more complex kinetic studies could be performed

    更新日期:2018-01-15
  • Titania Supported on Silica as Efficient Catalyst for Deep Oxidative Desulfurization of a Model Fuel with Exceptionally Diluted H2O2
    React. Chem. Eng. Pub Date : 2018-01-15
    Calogero Giancarlo Piscopo, Jens Tochtermann, Maud Schwarzer, Dusan Boskovic, Raimondo MAGGI, Giovanni Maestri, Stefan Löbbecke

    A deep oxidative desulfurization has been carried out, achieving the production of a model fuel with minimal sulphur content (0-15 ppm). The desulfurization process has been developed in continuous flow, using a titanium supported heterogeneous catalysts and exceptionally low hydrogen peroxide concentration (0.77% w/w).

    更新日期:2018-01-15
  • CO2 packing polymorphism under confinement in cylindrical nanopores
    Mol. Syst. Des. Eng. Pub Date : 2018-01-08
    Ilaria Gimondi, Matteo Salvalaglio
    更新日期:2018-01-15
  • The beneficial use of ultrasound in rapid-synthesis of SAPO34/ZSM-5 nanocomposite and its catalytic performances on MTO reaction
    Ind. Eng. Chem. Res. (IF 2.843) Pub Date : 2018-01-15
    Eshagh Moradiyan, Rouein Halladj, Sima Askari

    SAPO-34 is a high selective and hydrothermal stable for MTO reaction but is rapidly deactivated by the formation of coke through its micropores. The promising SAPO-34/ZSM-5 nanocomposite catalyst with different ratio was synthesized by the ultrasonic-assisted hydrothermal method and obtained products characterized to further investigate their catalytic performance. Utilizing of ultrasound method lead to faster synthesis time, decrease of crystallite size, increase of surface area and dominant mesopore structure. The physicochemical properties of the product were extensively investigated by XRD, FESEM, TEM, FT-IR, N2 adsorption-desorption techniques, and NH3-TPD. Results indicate composite had high conversion and selectivity compared to the original ZSM-5 and SAPO-34. Composite structures due to synergic effect between ZSM-5 and SAPO-34 where acted as a promoted catalyst improved catalytic properties of composite catalysts. Moreover, SAPO-34/ZSM-5 nanocomposite catalyst with 50% ratio synthesized by ultrasonic-assisted hydrothermal method (U-S/Z (50%)) showed 100% conversion and 90% selectivity to light olefin at 450˚C.

    更新日期:2018-01-15
  • Citric acid-assisted synthesis of nanoparticle copper catalyst supported on oxide system for the reduction of furfural to furfuryl alcohol in the vapor phase.
    Ind. Eng. Chem. Res. (IF 2.843) Pub Date : 2018-01-15
    Naragalu Javaregowda Venkatesha, Sreerangappa Ramesh

    The simplest method of synthesizing metallic Cu (111) nanoparticle on the zinc-aluminum mixed oxides was found to be easily obtained by solid state grinding of all the three metal nitrates and organic compounds in suitable proportions. Organic compounds such as citric acid, formic acid and hydrazine were used, which are acts as reducing agent for Cu. The catalysts were characterized by various physicochemical methods such as XRD, XRF, TPR, HRTEM, XPS, FESEM and N2-physisorption. Citric acid resulted Cu(111) nanoparticles with higher surface area and better dispersion on the surface of mixed oxides. The catalysts were used for the selective hydrogenation of furfural to furfuryl alcohol under vapor phase conditions. Among the various catalysts studied, Citric acid assisted catalyst showed better conversion with higher selectivity of desired product and deactivation free catalytic activity on stream more than 30h.

    更新日期:2018-01-15
  • Development of a DEM-VOF model for the turbulent free-surface flows with particles and its application to stirred mixing system
    Ind. Eng. Chem. Res. (IF 2.843) Pub Date : 2018-01-15
    liang wu, Ming Gong, Jingtao Wang

    The free-surface flows with particles are widely found in chemical engineering, and numerical modeling is a powerful tool to gain insight into local and macroscopic properties for the design and optimization of operating conditions. In this work, a DEM-VOF model is extended to turbulent free-surface flows with particles, by means of Reynolds stress model (RSM). Besides, we adopt a novel virtual dual-grid porosity model to calculate the fluid porosity. The simulated results of single particle sedimentation, the falling of sinking particles and the floating of buoyant particles agree well to analytical and literatures, which validate the proposed DEM-VOF model. Furthermore, the proposed DEM-VOF model is firstly involved to simulate the free-surface flows with particles in solid-liquid mixing system. It is found that elliptical-head vessel is preferred to a flat-bottomed vessel for solid–liquid mixing by comparing the simulation results of four different stirred tanks, which agrees well to the related content of the book “Handbook of Industrial Mixing”.

    更新日期:2018-01-15
  • Gas flow in a multiliquid-inlet rotating packed bed: 3D numerical simulation and internal optimization
    Ind. Eng. Chem. Res. (IF 2.843) Pub Date : 2018-01-15
    Wei Wu, Yong Luo, Guang-Wen Chu, Yi Liu, Haikui Zou, Jian-Feng Chen

    A novel multiliquid-inlet rotating packed bed (MLI-RPB) has been demonstrated to be a higher gas-liquid mass transfer reactor in our previous studies (Ind. Eng. Chem. Res. 2014, 53, 18580-18584), compared to the conventional RPB. Comprehensive understanding the fluid flow inside the MLI-RPB is significant for the internal optimization. In this work, the gas flow in a MLI-RPB was investigated by the three-dimensional computational fluid dynamics simulation. The simulated gas pressure drop was validated by the experimental data, within a deviation of ±15%. Simulation results reveal that the MLI-RPB has special features in the hollow annular zones among packing rings. Five types of internal combinations were designed to improve the turbulence of the gas flow in the hollow annular zones. The tangential slip velocity, turbulence kinetic energy, ratio of turbulence kinetic energy and overall gas pressure drop of the MLI-RPB with these internal combinations were 1~2, 1~4, and 1~4 times the original MLI-RPB, respectively.

    更新日期:2018-01-15
  • Thiodiphenol-Based n-Dialkylamino Extractants for Selective Platinum Group Metal Separation from Automotive Catalysts
    Ind. Eng. Chem. Res. (IF 2.843) Pub Date : 2018-01-15
    Manabu Yamada, Muniyappan Rajiv Gandhi, Yu Kaneta, Nozomi Kimura, Hiroshi Katagiri

    Five kinds of dialkylamino-modified thiodiphenols (2‒6) were synthesized to elucidate the extraction of Pd(II) and Pt(IV) in HCl media by thiodiphenol-based n-dialkylamino extractants. Although the synthesized species 2‒6 showed good solubility in hydrocarbon-based diluents such as kerosene, ShellSol D70, and ISOPER M, the addition of n-octanol to the platinum group metals (PGMs) extraction was needed to inhibit third layer formation. All the 2‒6 extract Pd(II) and Pt(IV) were much more effective than the commercial extractants, 2-hydroxy-5-nonylacetophenone oxime (LIX84-I), tri-n-butylphosphate (TBP), and tri-n-octylamine (TOA). Increasing the hydrophobicity of the extractants by increasing the alkyl chain length had an effect on the Pd(II), Pt(IV), and Rh(III) extractabilities, which increased in the order from 2 to 6. Extractant 6 could also be used for the selective extraction of Pd(II) and Pt(IV) (E% > 99%) from the leach liquors of automotive catalysts containing Pd(II), Pt(IV), Rh(III), La(III), Ce(III), Y(III), Zr(IV), Ba(II), and Al(III) in HCl media. The effective stripping of Pd(II) and Pt(IV) was achieved from an extracted organic phase containing 6 using 0.5 M thiourea in 1.0 M HCl. In addition, 6 was reusable and exhibited a high E% for Pd(II) and Pt(IV) (>96%) after five extraction cycles, indicating potential usefulness for the selective recovery of Pd(II) and Pt(IV) from leachates in platinum group metal refineries.

    更新日期:2018-01-15
  • Synthesis of SAPO-34@ZSM-5 and SAPO-34@Silicalite-1 Core-Shell Zeolite Composites for Ethanol Dehydration
    Ind. Eng. Chem. Res. (IF 2.843) Pub Date : 2018-01-15
    Xin Li, Fateme Rezaei, DOUGLAS K. LUDLOW, Ali Asghar Rownaghi

    Herein, we report the synthesis of zeolite composites with core-shell structure via a secondary growth technique and evaluation of their catalytic performance in ethanol dehydration. In particular, SAPO-34 particles were functionalized by TPA+, followed by dispersion in ZMS-5 or silicalite-1 to from SAPO-34@ZSM-5 and SAPO-34 silicalite-1 composites. The novel core-shell materials showed a hierarchical porous structure consisting of both micropores and mesopores. The active sites in the developed composites were found to have a mild acidity. Compared to conventional zeolite catalysts in ethanol dehydration reaction, the core-shell SAPO-34@ZSM-5 improved the selectivity towards light olefins. In addition, our catalyst test results revealed the enhancement in propylene and ethylene yield over SAPO-34@ZSM-5 and SAPO-34@siliclite-1, respectively, as compared with bare SAPO-34. An improved catalyst stability was also obtained for the composite materials owing to their core-shell structure. The improved catalytic performance reported in this study reveals the potential utility of the zeolite composites with core-shell structure in ethanol dehydration reaction.

    更新日期:2018-01-15
  • Channel Interactions and Robust Inference for Ratiometric β-lactamase Assay Data: a Tox21 Library Analysis.
    ACS Sustainable Chem. Eng. (IF 5.951) Pub Date : 2018-01-15
    Fjodor Melnikov, Jui-Hua Hsieh, Nisha S Sipes, Paul T. Anastas

    Ratiometric β-lactamase (BLA) reporters are widely used to study transcriptional responses in a high throughput screening (HTS) format. Typically, a ratio readout (background/target fluorescence) is used for toxicity assessment and structure-activity modeling efforts from BLA HTS data. This ratio readout may be confounded by channel-specific artifacts. To maximize the utility of BLA HTS data, we analyzed the relationship between individual channels and ratio readouts after fitting 10,000 chemical titration series screened in seven BLA stress-response assays from the Tox21 initiative. Similar to previous observations, we found that activity classifications based on BLA ratio readout alone are confounded by interference patterns for up to 85% (50 % on average) of active chemicals. Most Tox21 analyses adjust for this issue by evaluating target and ratio readout direction. In addition, we found that the potency and efficacy estimates derived from the ratio readouts may not represent the target channel effects and thus complicates chemical activity comparison. From these analyses we recommend a simpler approach using a direct evaluation of the target and background channels as well as the respective noise levels when using BLA data for toxicity assessment. This approach eliminates the channel interference issues and allows for straightforward chemical assessment and comparisons.

    更新日期:2018-01-15
  • Facile strategy in designing epoxy/paraffin multiple phase change materials for thermal energy storage applications
    ACS Sustainable Chem. Eng. (IF 5.951) Pub Date : 2018-01-15
    Qingsong Lian, Yan Li, Asim A. S. Sayyed, Jue Cheng, Junying Zhang

    Designing novel phase change materials (PCMs) is of vital importance in achieving the sustainable development of energy. Here, we facilely prepare a series of novel multiple solid-solid PCMs (SSPCMs, EPPa-X systems) by blending paraffin, epoxy resin with crystalline side chains (D18), and poly(propylene oxide)diamine together followed by a one-pot curing process. Strong intermolecular forces between paraffin and D18 (based on their good compatibility) and reliable three-dimensional (3-D) crosslinking network of epoxy resin form a unique encapsulation mechanism, which provides the EPPa-X SSPCMs with excellent shape-stable properties and superior thermal stability (remain stable below 180 oC) without sacrificing too much latent heat of paraffin (only 1.6% latent heat loss). Due to the combination of two melting process at 36 oC and 60 oC derived from D18 and paraffin, respectively, the latent heat of the EPPa-50 system is high to 152.6 J/g. Besides, the supercooling extent of D18 decreased from 13.6 oC to 10.5 oC with the adding of paraffin due to the heterogeneous nucleation effect. The novel EPPa-X SSPCMs possess tremendous potential for a wide range of applications due to their facile preparation, low cost, high reliability, and excellent phase change properties; while the unique encapsulation mechanism may open a new door for preparing other novel types of PCMs.

    更新日期:2018-01-15
Some contents have been Reproduced with permission of the American Chemical Society.
Some contents have been Reproduced by permission of The Royal Society of Chemistry.
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