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  • Photopolymerization of Coumarin-Containing Reversible Photoresponsive Materials Based on Wavelength Selectivity
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-15
    Qiang Chen, Qian Yang, Pei Gao, Baihong Chi, Jun Nie, Yong He
    更新日期:2019-02-15
  • 更新日期:2019-02-15
  • 更新日期:2019-02-15
  • Dual Template Preparation of MFI Zeolites with Tuning Catalytic Properties in Alkylation of Mesitylene with Benzyl Alcohol
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-14
    Xin Yan, Baoyu Liu, Jiajin Huang, Ying Wu, Huiyong Chen, Hongxia Xi
    更新日期:2019-02-15
  • Group Contribution-based estimation method for properties of ionic liquids
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-15
    Yuqiu Chen, Georgios M. Kontogeorgis, John M. Woodley

    Properties of ionic liquids (ILs) are required for the design of products and processes involving ILs. Although innumerable ILs may be generated through the combination of a variety of cations, anions and substituents, only a small part of them have been reported to exist (have been synthesized). The available experimental data are generally limited and sometimes even contradictory. A detailed knowledge about the properties of ILs is critically important, especially for ILs not yet available. Based on collected experimental data from numerous literature sources, a series of group contribution models have been developed for estimating various properties (density, heat capacity, viscosity, surface tension, melting point) of ILs. To evaluate the predictive capability of the proposed or employed group contribution models, nearly 70% of the datasets (i.e. training sets) are used for correlation, and then the remaining datasets (i.e. test sets) not included in the training sets are used for prediction. The calculation results show that the proposed group contribution models can predict the properties of studied ILs with sufficient accuracy. These property estimation models can both be used easily, and also provide estimation of important properties for previously unstudied ionic liquids, some of which may be considered as potential solvents in many industry applications.

    更新日期:2019-02-15
  • Modeling the Water Solubility in Imidazolium-Based Ionic Liquids Using the Peng-Robinson EoS
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-15
    Jeremías Martínez, Maria Antonieta Zuñiga-Hinojosa, Ricardo Macías-Salinas

    Ionic liquids (ILs), also known as liquid salts or ionic fluids, are organic salts with a low fusion point. They behave as a liquid at low temperature or ambient temperature. Accordingly, they are prominent solvents to be used in the green chemical processes because of their attractive physicochemical properties such as low vapor pressure, high thermal stability, an excellent solvation behavior, and high gas solubility. Recently, various experimental researches have reported the water solubility in different imidazolium-based ionic liquids at different temperature, pressure, and composition conditions. In this study, we present the modeling of the vapor-liquid equilibrium of the H2O-IL system using the Peng-Robinson cubic equation of state coupled with the Wong-Sandler mixing rules; eight binary systems were studied for this purpose. Additionally, improved temperature-dependent parameters were introduced into the equation of state as those proposed by Stryjek and Vera for water and by Yokozeki for the IL. The studied ionic liquids were: [CxMIM][Cl] (x=2,4,6), [C4MIM][PF6], [C2MIM][BF4], [C4MIM][BF4], [OHC2MIM][BF4] and [OHC2MIM][Cl]. The obtained results showed a satisfactory agreement between the experimental and the calculated solubility data using the present modeling approach at different conditions of temperature, pressure, and composition.

    更新日期:2019-02-15
  • Dynamic Modeling and Simulation of a Hybrid Solar Thermal Power Plant
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-14
    Surender Kannaiyan, Sharad Bhartiya, Mani Bhushan

    A solar thermal power plant presents an environmentally friendly process for producing power. However, due to diurnal and seasonal variations in the availability of solar radiation, as well as uncertainty caused by factors such as cloud cover, efficient operation of a solar thermal power plant is a challenging task. Availability of a dynamic model which represents the process behavior in face of these inevitable variations is a pre-requisite for efficiently operating the plant. In this work, we develop a dynamic model for a hybrid solar thermal power plant operating in India. The plant uses two different technologies for solar power collection namely, Parabolic Trough Collector (PTC) for heating oil and Linear Fresnel Reflector (LFR) for generating direct steam. Superheated steam, generated using heat exchangers, drives the turbine-generator block to generate electricity. The dynamic model is based on first principles models of various components in the plant, such as PTC, LFR, heat exchangers and storage tanks, and captures the integrated nature of plant. The model also incorporates heat losses to quantify night time cooling. A preliminary validation of the developed plant model is also presented using routine field data. The model is then used to simulate the dynamic operation of the plant for two case studies: (i) a two day simulation with field solar insolation profiles corresponding to summer days, and (i) a single day case study with cloud cover. The performances of the PTC and LFR fields as well as the overall plant were quantified and compared using various metrics. The case studies involved cold and warm startup scenarios and highlighted the impact of these initial conditions on the plant performance. The proposed dynamic model can be used for designing optimal operation and advanced control strategies.

    更新日期:2019-02-15
  • Enhanced Procurement and Production Strategies for Chemical Plants: Utilizing Real-Time Financial Data and Advanced Algorithms
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-14
    Janusz J. Sikorski, Oliver Inderwildi, Mei Qi Lim, Sushant S. Garud, Johannes Neukäufer, Markus Kraft
    更新日期:2019-02-14
  • Sensitivity of the Predictability of Chemical Equilibrium Software to the Choice of the Products
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-14
    Qi Liu, Christophe Proust, Francois Gomez, Denis Luart, Christophe Len
    更新日期:2019-02-14
  • 更新日期:2019-02-14
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  • Mutual Tailored Bimetallic Rh–Co Supported on La Modified SiO2 for Direct Ethanol Synthesis from Syngas
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-14
    Huixian Zhong, Jiaming Wang, Shaoxia Guo, Kegong Fang, Yuan Liu
    更新日期:2019-02-14
  • Kinetics and Mechanism of Catalytic Oxidation of 2,6-Dimethylnaphthalene to 2,6-Naphthalenedicarboxylic Acid
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-14
    Heng Ban, Shengdong Yang, Youwei Cheng, Lijun Wang, Xi Li
    更新日期:2019-02-14
  • Graphene Nanofibrous Foam Designed as an Efficient Oil Absorbent
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-14
    Zhang-Qi Feng, Fangfang Wu, Lin Jin, Ting Wang, Wei Dong, Jie Zheng
    更新日期:2019-02-14
  • 更新日期:2019-02-14
  • 更新日期:2019-02-14
  • High-Efficiency Bimetallic Catalyst Prepared in Situ from Prussian Blue Analogues for Catalytic Water Oxidation
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-14
    Wenlan Ma, Jia Guo, Tingxiang Chen, Naeem Akram, Rena Simayi, Jide Wang
    更新日期:2019-02-14
  • A Pinch-Based Approach for Targeting Carbon Capture, Utilization, and Storage Systems
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-14
    Sonal K. Thengane, Raymond R. Tan, Dominic C. Y. Foo, Santanu Bandyopadhyay
    更新日期:2019-02-14
  • 更新日期:2019-02-14
  • A Dynamic Response Surface Model for Polymer Grade Transitions in Industrial Plants
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-14
    Zhenyu Wang, Christos Georgakis

    The Dynamic Response Surface Methodology (DRSM) has recently been applied to accurately model the dynamics of polymer grade transitions (Wang and Georgakis, Ind. Eng. Chem. Res. 2017). Following up this publication, we propose here two methodological improvements which greatly reduce the required number of experiments and still achieve similar model accuracy. First, a novel design of the experiments is defined to combine the previous separate input domains for increasing and decreasing polymer grade transitions. This enables a single DRSM model, instead of the prior two separate ones, and reduces the experiments by half. Furthermore, a sequential modeling strategy is proposed, appending experiments to an initial simpler design to estimate a more complex DRSM model. As the desired DRSM model complexity is not known a priori, the sequential modeling strategy is critical in achieving the desired model accuracy with the minimum number of experiments. These methodological advances have been tested against an academic and an industrial process simulation.

    更新日期:2019-02-14
  • Carbon-carbon allotropic hybrids and composites: synthesis, properties, and applications.
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-14
    Oxana Vasilievna Kharissova, Boris Ildusovich Kharisov, Cesar Maximo Oliva Gonzalez

    Carbon-carbon allotropic hybrids and their composites are reviewed. Carbon-carbon hybrids are mainly composed of graphene, graphite, graphene oxide, reduced graphene oxide, carbon nanotubes, carbyne chains, fullerenes and more complex spherical and ring-like carbon forms, graphene quantum dots and carbon nanodots. Aerogels and xerogels on their basis are also discussed. Most of these hybrides consist of 3D architectures with either covalent or van der Waals interactions between carbon atoms, possessing unusual properties as compared to their counterparts, due to the simultaneous presence of carbon structures of distinct dimensionality and reactivity. These composites can be prepared by a variety of methods starting from already existing allotropes, or by their synthesis in situ, such as chemical vapor deposition, solvothermal techniques, pyrolysis, ultrasonication in solution, and other liquid-phase methods, frequently including redox steps. Current and potential applications of hybrids and their metal-doped composites as supercapacitors, sensors, catalysts, and environmental remediation reactants are described.

    更新日期:2019-02-14
  • Phosphorus-containing mesoporous carbon acid catalyst for methanol dehydration to dimethyl ether
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-14
    Maria Jose Valero Romero, Elisa María Calvo Muñoz, Ramiro Ruíz Rosas, José Rodríguez-Mirasol, Tomás Cordero

    Catalytic dehydration of methanol on an acid carbon catalyst prepared by chemical activation of olive stone with H3PO4 is reported. This preparation methodology produces carbons with a well-developed porous texture and highly thermally stable phosphorus surface complexes in form of C–O–PO3 and C–PO3. These P groups confer the carbon with a high oxidation resistance, surface acid and redox sites. In the absence of oxygen, the catalyst experimented a gradual deactivation due to coke deposition on the strong acid sites (P-OH) and reduction of the moderate-strength acid P-surface groups (from C–O–P to C–P type ones). The novelty of this research concerns the high catalytic stability in air atmosphere of this type of carbon with a steady state methanol conversion of 20% at 300ºC and selectivity towards dimethyl ether of 95%. The presence of oxygen in the reaction gas avoids coke deposition by continuously (re)oxidation of reduced P-surface groups, without gasification of the carbon catalyst.

    更新日期:2019-02-14
  • High-Temperature, High-Pressure Viscosities and Densities of n-Hexadecane, 2,2,4,4,6,8,8-Heptamethylnonane and Squalane Measured Using a Universal Calibration for a Rolling-Ball Viscometer/Densimeter
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-14
    Aaron Rowane, Rajendar R. Mallepally, Ashutosh Gupta, Manolis Gavaises, Mark A. McHugh

    The development of reference correlations for viscous fluids is predicated on the availability of accurate viscosity data, especially at high pressure, high temperature (HPHT) conditions. The rolling ball viscometer (RBV) is a facile technique for obtaining such HPHT viscosity data. A new, universal RBV calibration methodology is described and applied over a broad T-p region and for a wide range of viscosities. The new calibration equation is used to obtain viscosities for n-hexadecane (HXD), 2,2,4,4,6,8,8-heptamethylnonane (HMN), and 2,6,10,15,19,23-hexamethyltetracosane (squalane) from 298 – 530 K and pressures to 250 MPa. The available literature data base for HMN is expanded to 520 K and 175 MPa and for squalane to 525 K and 250 MPa. The combined expanded uncertainties are 0.6% and 2.5% for the densities and viscosities, respectively, each with a coverage factor, k = 2. The reliability of the viscosity data is validated by comparison of HXD and squalane viscosities to accepted reference correlations and HMN viscosities to available literature data. The necessity of this new calibration approach is confirmed by the large deviations observed between HXD, HMN, and squalane viscosities determined using the new, universal RBV calibration equation and viscosities determined using a quadratic polynomial calibration equation. HXD, HMN, and squalane densities are predicted with the Perturbed Chain Statistical Associating Fluid Theory using pure component parameters calculated with a previously reported group contribution (GC) method. HXD, HMN, and squalane viscosities are compared to Free Volume Theory (FVT) predictions using FVT parameters calculated from a literature correlation for n-alkanes. Although the FVT predictions for HXD, a normal alkane, result in an average absolute percent deviation (∆AAD) of 3.8%, predictions for HMN and squalane, two branched alkanes, are four to 13 times larger. The fit of the FVT model for the branched alkanes is dramatically improved if the FVT parameters are allowed to vary with temperature.

    更新日期:2019-02-14
  • Aqueous-Phase Hydrodechlorination of Trichloroethylene over Pd-based Swellable Organically-Modified Silica (SOMS): Catalyst Deactivation Due to Sulfur Species
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-14
    Gokhan Celik, Saurabh Ailawar, Seval Gunduz, Jeffrey T. Miller, Paul L Edmiston, Umit S. Ozkan

    One of the problems of catalytic water treatment systems is that sulfur-containing species present in contaminated water have a detrimental effect on the catalytic performance because of strong interactions of sulfur species with active metal sites. In order to address these problems, our research has focused on developing a poison-resistant catalytic system by using a novel material, namely, swellable organically-modified silica (SOMS) as a catalyst scaffold. Our previous investigations demonstrated that the developed system was resistant to chloride poisoning, active metal leaching, and carbon deposition under reaction conditions. This study examines the sulfur-tolerance of the developed catalytic system for hydrodechlorination (HDC) of trichloroethylene (TCE) by subjecting Pd-incorporated samples to different sulfur species, including sulfates (SO42-), bisulfides (HS-), and hydrogen sulfide (H2S). The pristine and sulfur-treated catalysts were then tested for aqueous and gas-phase HDC of TCE and characterized by several techniques including N2 physisorption, X-ray photoelectron spectroscopy (XPS), extended X-ray absorption fine structure spectroscopy (EXAFS), and temperature programmed reaction (TPrxn) with H2. The investigations were also performed on Pd/Al2O3, commercially used HDC catalyst, to have a basis for comparison. The activity and characterization results revealed that Pd/Al2O3 underwent deactivation due to exposure to sulfur-containing compounds. Pd/SOMS, however, exhibited better resistance to aqueous sulfates, bisulfides and gas phase H2S. In addition, the removal of sulfur species from completely poisoned catalysts was found to be more facile in Pd/SOMS than Pd/Al2O3. The tolerance of Pd/SOMS to sulfur poisoning was attributed to stem from the novel characteristics of SOMS such as swelling ability and extreme hydrophobicity.

    更新日期:2019-02-14
  • Precisely Tailoring Bubble Morphology in Microchannel by Nanoparticles Self-assembly
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-14
    Yining Wu, Ruoyu Wang, Caili Dai, Yan Xu, Tongtao Yue, Mingwei Zhao

    Precisely tailoring bubble morphology is always a long-standing great challenge. In this work, a facile and scalable method to generate nonspherical bubbles with long-term stability is proposed. Taking advantage of the electrostatic interaction between silica nanoparticles (SNPs) and cationic surfactants, the SNPs are decorated with surfactants and endowed with interfacial activity. Due to the rearrangement of surfactants, the decorated SNPs transform to a kind of Janus particles at the gas-liquid interface. By precisely manipulating the surface activity, packing density and jamming of Janus SNPs at the bubble surface, four different shapes such as oblaten-like, bullet-like, tadpole-like and worm-like bubble were obtained continuously in the microchannel. Herein, our method to generate bubbles with a prescribed shape poses opportunities for gas microreactor, cavity material, gas storage and provide a platform to study the applicable scope of the Young-Laplace equation.

    更新日期:2019-02-14
  • Exothermically efficient exfoliation of biomass cellulose to value-added N-doped hierarchical porous carbon for oxygen reduction electrocatalyst
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-14
    Cheong Kim, Chunyu Zhu, Yoshitaka Aoki, Hiroki Habazaki

    In this work, high value-added N-doped hierarchical porous carbon (NHPC) for oxygen reduction reaction (ORR) electrocatalyst was prepared using biomass cellulose as the raw material. The pyrolysis of cellulose is accelerated by a redox combustion reaction of magnesium nitrate-carbohydrates (urea and cellulose) as-absorbed in cellulose fibers, which endows the doping with nitrogen, exfoliates the cellulose to highly porous particles and creates numerous pores simultaneously. After being further carbonized at high temperature and washed with acid, NHPCs were produced which have hierarchical porous structure and large specific surface area. These features are beneficial to ORR. The influence of four preparation parameters, including species of magnesium salt, carbonization temperature, urea amount and magnesium salt amount, on the porous characteristics and ORR performance are comprehensively investigated.

    更新日期:2019-02-14
  • 更新日期:2019-02-14
  • Comparison between Batch and Continuous Monoclonal Antibody Production and Economic Analysis
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-13
    Ou Yang, Siddharth Prabhu, Marianthi Ierapetritou
    更新日期:2019-02-14
  • Synthesis, Characterization, and Catalytic Performance of Aminomethylphosphonic Molybdenum Catalysts for Slurry-Phase Hydrocracking
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-13
    Zhixiang Chen, Yanning Cao, Yongde Ma, Chaktong Au, Lilong Jiang, Xiaojun Bao
    更新日期:2019-02-14
  • Capturing the Effects of Oil Price Uncertainty in Carbon Integration Network Design
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-13
    Rola Malaeb, Hussein Tarhini, Sabla Y. Alnouri
    更新日期:2019-02-14
  • Modeling of Catalyst Deactivation in Bioethanol Dehydration Reactor
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-13
    Rafael Brandão Demuner, Jeiveison Gobério Soares Santos Maia, Argimiro Resende Secchi, Príamo Albuquerque Melo, Roberto Werneck do Carmo, Gabriel Sabença Gusmão
    更新日期:2019-02-14
  • 更新日期:2019-02-14
  • Microscopic Simulation of Methane Adsorption in Organic Matter
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-13
    Jianfei Zhao, Zhouhua Wang, Ping Guo
    更新日期:2019-02-14
  • Improvement of PET melt-foamability by long-chain branching with the combination of PMDA and TGIC
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-13
    Yukai Ge, Shun Yao, Menlong Xu, Liang Gao, Zhiying Fang, Ling Zhao, Tao Liu

    Reactive processing on conventional poly(ethylene terephthalate) (PET) with the combination of pyromellitic dianhydride (PMDA) and triglycidyl isocyanurate (TGIC) was used to produce long-chain branched PET (LCB-PET). The branching factors of the PET samples were correlated from their intrinsic viscosity and molar mass results. In all PET without a cross-linked structure, PET modified with 0.1 wt% PMDA and 0.5 wt% TGIC (PET-P1T5) had the highest branching degree, with a branching factor of 0.84. The relaxation time spectrums of the three modified PET with strain hardening behaviors displayed rubbery states during the relaxation process, which was ascribed to their increased molecular weight or long-chain branched structure. Batch melt foaming experiments with CO2 were carried out to evaluate the melt-foamability of PET. The results indicated that both a high molecular weight and long-chain branched structure, especially the latter, could efficiently lead to strong molecular entanglements and significantly improve the polymer melt-foamability.

    更新日期:2019-02-14
  • A Unified Framework for Kinetic Parameter Estimation Based on Spectroscopic Data w/ or w/o Unwanted Contributions
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-13
    Weifeng Chen, Lorenz T. Biegler, Salvador Garcia-Munoz

    Kinetics estimation of chemical reaction is considered to be a crucial step prior to design a robust, controllable and safe production process. Spectroscopic measurements are widely used for kinetic analysis. However, there may be unwanted contributions in the measured spectra, which may come from the instrumental variations (such as the baseline shift or distortion) or from the presence of inert absorbing interferences with no kinetic behavior. Here, the kinetic estimation problem with time invariant contributions is studied in depth, and we derive conditions where the estimation accuracy is not affected by the time invariant contributions. Moreover, kinetic parameter estimation and separation of time invariant contributions can be performed simultaneously under proper conditions. Also, an approach for kinetic parameter estimation based on spectra with time variant contributions is proposed. Finally, a novel unified framework is developed for kinetic parameter estimation when there is no prior information for unwanted contributions.

    更新日期:2019-02-14
  • A Systematic investigation of a surfactant type nano gemini ionic liquid and simultaneous abnormal salts effects on the crude oil/water interfacial tension
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-13
    Javad Saien, Mona Kharazi, Meysam Yarie, Mohammad Ali Zolfigol

    Gemini ionic liquids (ILs) are usually known with significant surfactant behavior. Nano materials, on the other hand, are capable of improving interface properties. The current study explores the use of a novel nano gemini imidazolium IL with a molecular structure of four methylene group spacer, for reducing crude oil/water interfacial tension (IFT). The gemini IL was prepared purely by a two steps synthesis method and characterized in different ways. Results revealed that IFT was drastically decreased to 97.8% in the presence of the IL and more decrease was achieved with temperature and pH variations. The high performance of the IL can be attributed to the strong IL amphiphilic nature. The salt effects in the presence of the IL were evaluated with NaCl, MgCl2 as well as their mixture. Results revealed more IFT reduction under salinity conditions because of remarkable found synergism effect, unlike conventional surfactants. The findings encourage the use of seawater IL solutions in chemical enhanced oil recovery. The obtained salt free IFT data were precisely reproduced with the well-known Frumkin adsorption isotherm and the corresponding thermodynamic parameters were obtained at different temperatures. From thermodynamic results, a spontaneous IL adsorption was deduced.

    更新日期:2019-02-14
  • Application of a Novel Phosphonium-based Ionic Liquid to the Separation of Platinum Group Metals from Automobile Catalyst Leach Liquor
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-13
    Mochamad L. Firmansyah, Fukiko Kubota, Wataru Yoshida, Masahiro Goto

    The recovery of platinum group metals (PGMs) from automotive exhaust catalysts is important, and hydrometallurgical extraction is an effective approach. In the present study, a newly-designed phosphonium-based ionic liquid (IL) was applied to the separation and recovery of PGMs from an automobile catalyst leach liquor in conjunction with varying pH levels. This IL, trioctyldodecyl phosphonium chloride (P8,8,8,12Cl), allows quantitative extraction of Pd(II) at any HCl concentration, with almost 80% removal of Rh(III) at 1 mol L-1 HCl after two extractions. Significant amounts of Fe(III) were absorbed into the IL phase, but could be removed using 1 mol L-1 Na2SO3. The Pd(II) and Rh(III) were selectively recovered from the IL using 1 mol L-1 CS(NH2)2 and 5 mol L-1 HCl, respectively. This work therefore demonstrated the selective recovery of PGMs through optimization of various parameters and shows the significant potential of this IL with regard to recycling PGMs from leach liquor.

    更新日期:2019-02-14
  • Core – shell novel composite metal nanoparticles for hydrogenation and dye degradation applications
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-13
    Sameer Kulkarni, Mangesh Jadhav, Prasad Raikar, Shantanu Raikar, Uday S Raikar

    Biofriendly green sustainable nanocatalyst Au@NiAg with high catalytic activity prepared for hydrogenation and degradation of aquatic contaminants like 4 – nitrophenol, Methyl Orange and Orange – G. Synthesized Au@Ni nanoparticles are having triangular shape while the Au@NiAg nanoparticles are of spherical shape and of smaller size is attributed to the digestive ripening of the Au@Ni where silver ion deposited on the host Au@Ni nanoparticles surface. The Au@NiAg nanoparticles catalyzed hydrogenation of 4 – nitrophenol and reduction of organic dyes follow Langmuir – Hinshelwood kinetics. The Au@NiAg nanoparticles have shown excellent catalytic activity with activity factor of 3167s-1 g-1, 5476 s-1 g-1 and 3810 s-1 g-1 for 4 – NP, MO and OG respectively. Ag nanoparticles act as co catalyst for overall improving the performance of the Au@NiAg. Above all the involvement of leaf extract mediated synthesis will open an area to the production of sustainable, ecofriendly and nontoxic core shell nanocatalysts with exemplary catalytic activity.

    更新日期:2019-02-14
  • A SAFT Perspective of the Modeling of Compounds Containing Ethylene Oxide Groups
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-13
    Emanuel Almeida Crespo, Joao A.P. Coutinho

    Compounds containing ethylene oxide groups as repeating unit, such as glycols and their ethers, have several applications across different industrial fields. For an efficient simulation, design and optimization of industrial processes based on these compounds, reliable and robust thermodynamic models able to accurately describe their phase equilibria and thermophysical properties are required. From the choice of thermodynamic models available in literature, the selection of the most adequate is not always obvious but results have shown overtime that, for associating or polar fluids, association models derived from the Statistical Associating Fluid Theory (SAFT) are more accurate and physically sound than the Cubic EoSs widely used by industry. However, the current modeling approaches used within the framework of association models have known limitations that must be understood by those developing and applying these models as they often result in a loss of accuracy and extrapolative and predictive ability. This review provides a literature survey of the different works on the modeling of compounds containing ethylene oxide groups using association models, discussing their capabilities and limitations while giving a perspective for future developments on this field.

    更新日期:2019-02-14
  • Improved Vine Copula-Based Dependence Description for Multivariate Process Monitoring based on Ensemble Learning
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-12
    Yang Zhou, Shaojun Li, Ning Xiong

    This paper proposes a boosting Vine Copula-Based Dependence Description (BVCDD) method for multivariate and multimode process monitoring. The BVCDD aims to improve the standard Vine Copula-Based Dependence Description (VCDD) method by establishing an ensemble of sub-models from sample directions based on a boosting strategy. The generalized Bayesian inference-based probability (GBIP) index is introduced to assess the degrees of a VCDD model (sub-model) to depict different samples, which means how likely an observation is under the probabilistic model for the system. Every sample is weighted individually according to the depiction degree. The weights are then used to choose a certain number of samples for each succeeding sub-model. In this way, the samples with large error in the preceding model can be selected for training the next sub-model. Moreover, the number of sub-models as well as the number of training samples chosen for every sub-model are determined adaptively in the ensemble learning process. The proposed BVCDD method can not only solve weak sample problems but also remove redundant information in samples. To examine the performance, empirical evaluations have been conducted in comparing BVCDD with some other state-of-the-art methods in a numerical example, the Tennessee Eastman (TE) process, and an acetic acid dehydration process. The results show that the developed BVCDD models are superior to those obtained by the counterparts on weak samples in both accuracy and stability.

    更新日期:2019-02-14
  • Leakage Mitigation During CO2 Geological Storage Process Using CO2 Triggered Gelation
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-12
    Dexiang Li, Liang Zhang, Shaoran Ren, Hongxing Rui
    更新日期:2019-02-13
  • Operational Optimization of Processes with Multistream Heat Exchangers Using Data-Driven Predictive Modeling
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-12
    Harsha N. Rao, Sajitha K. Nair, Iftekhar A. Karimi
    更新日期:2019-02-13
  • 更新日期:2019-02-13
  • Novel Nitrogen-Doped Porous Carbons Derived from Graphene for Effective CO2 Capture
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-12
    Liying An, Shenfang Liu, Linlin Wang, Jiayi Wu, Zhenzhen Wu, Changdan Ma, Qiankun Yu, Xin Hu
    更新日期:2019-02-13
  • Coral-like CoMnOx as a Highly Active Catalyst for Benzene Catalytic Oxidation
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-12
    Qun Li, Tareque Odoom-Wubah, Yaping Zhou, Rafal Mulka, Yanmei Zheng, Jiale Huang, Daohua Sun, Qingbiao Li
    更新日期:2019-02-13
  • Reverse Osmosis Network Rigorous Design Optimization
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-11
    Abdon Parra, Mario Noriega, Lidia Yokohama, Miguel Bagajewicz
    更新日期:2019-02-13
  • 更新日期:2019-02-13
  • 更新日期:2019-02-13
  • Continuous Separation of Lignin from Organosolv Pulping Liquors - Combined Lignin Particle Formation and Solvent Recovery
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-12
    Peter Schulze, Moritz Leschinsky, Andreas Seidel-Morgenstern, Heike Lorenz

    The solubility and softening behavior of lignin from acid-catalyzed ethanol/water pulping was determined in various ethanol/water solvent mixtures and a process relevant temperature range. The operation conditions for an optimized lignin separation process have been derived from the determined lignin phase behavior. The continuous lignin separation and solvent recovery process (LigniSep) has been developed in lab scale and up-scaled to a dedicated pilot plant at Fraunhofer CBP (Leuna, Germany). Agglomeration of softened lignin particles and lignin “stickiness” were adjusted by temperature (38-44 °C at 80-120 mbar) and ethanol content of the lignin dispersion (6-9 wt.%), which was monitored by inline infrared spectroscopy. Ethanol recovery by evaporation and lignin particle formation were facilitated simultaneously. The agglomeration behavior of different lignins was monitored via inline particle size analysis. Optimal process conditions resulted in good filterability of the lignin dispersion with average filter cake resistances of 10^11 to 10^13 m^-2 and lignin yields near 100 wt.% of water-insoluble lignin.

    更新日期:2019-02-13
  • Optimization of Recovery and Relaxation of Acrylic Pressure-Sensitive Adhesives by using UV Patterning for Flexible Displays
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-12
    Jong-Ho Back, Dooyoung Baek, Kyeng-Bo Sim, Gyu-Young Oh, Seong-Wook Jang, Hyun-Joong Kim, Youngdo Kim

    Acrylic pressure-sensitive adhesives (PSA) have been widely used for various applications including displays. For flexible displays, recovery and relaxation of the PSA must be enhanced; however, only a few studies have focused on their optimization. High crosslinking density of the PSA leads to improved recovery but deteriorates the stress relaxation; thus, it is difficult to perform optimization by simply controlling the crosslinking density. Herein, it was determined that a UV-patterned PSA with both high and low crosslinking densities in a single layer enables the optimization of both recovery and relaxation. By introducing the UV-patterned PSA, the elasticity and recovery largely deteriorated but the stress relaxation was significantly improved compared to that of the non-patterned PSA and this effect was enhanced with increase in the applied strain. Thereby the recovery and relaxation were well optimized with both values above 71% only at 300% strain. The recovery and relaxation of PSA had, respectively, a positive and negative correlation with the storage modulus.

    更新日期:2019-02-13
  • GO@Polyaniline Nanorod Arrays Hierarchical Structure:A photothermal agent with high photothermal conversion efficiency for Fast Near-Infrared Responsive Hydrogels
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-12
    Ping Fan, Zhe Fan, Fanglin Huang, Jintao Yang, Feng Chen, Zhengdong Fei, Mingqiang Zhong

    Near-infrared (NIR) responsive hydrogels are of significance in remote control microvalves. However, the development and the application of NIR responsive hydrogels were either limited by high cost or limited by long response time (on the order of minutes) and modest volume change. To address this problem, in this work, a GO@PANI hybrid nanocomposite with nanorods arrays hierarchical structure was fabricated by dilute polymerization. The as-synthesized hierarchical GO@PANI nanosheets exhibited high NIR photothermal conversion efficiency (PTCE) (49%)which was approximate 188% magnitude of that of GO sheets. Due to its high photothermal conversion efficiency, when GO@PANI was incorporated into temperature-responsive PNIPA, a highly responsive hydrogel with rapid and significant NIR-induced volume change (over 50%) were obtained. When this material was applied as a remote-controllable microvalve, it exhibits fast NIR response (~30s).

    更新日期:2019-02-13
  • Catalytic and DRIFTS studies of Pt-based bimetallic alloy catalysts in aqueous phase reforming of glycerol
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-12
    Yong Guo, Xiaohui Liu, Yanqin Wang

    PtM (M = Fe, Co, Ni or Cu)/γ-Al2O3 catalysts with the same metals size and dispersion are prepared by loading pre-synthesized PtM colloids on γ-Al2O3. The effect on catalytic properties over different alloys are investigated by both glycerol aqueous-phase reforming (APR) and water gas shift (WGS) reactions. The Pt1Fe1/γ-Al2O3 catalyst performs the best activities for both APR and WGS. The relationship between WGS and APR is discussed and suggests that WGS plays a key role in APR. Furthermore, DRIFTS study is adopted to understand the possible reaction pathway. Fe plays two roles: (1) the Fe could facilitate the dissociation of H2O to supply OH group, which is necessary to react with CO adsorbed on Pt; (2) the formation of Pt1Fe1 alloy is beneficial to the decomposition/desorption of formate species that tends to block the active sites. Finally, one possible mechanism of glycerol APR on Pt1Fe1 alloy catalyst is proposed.

    更新日期:2019-02-13
  • Porous Hybrid Nanoflower Self-assembled from Polyoxometallate and Polyionene for Efficient Oxidative Desulfurization
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-12
    Luhong Zhang, Shanshan Song, Na Yang, Xiaowei Tantai, Xiaoming Xiao, Bin Jiang, Yongli Sun

    A novel and precise ionic self-assembly (ISA) construction strategy for the self-assembly of polymeric quaternary ammonium salts (polyionene) and Anderson-type polyoxometalate (β-Mo8O264−) to form a three-dimensional nanoflower structure was developed successfully and used for oxidative desulfurization (ODS) of fuels for the first time. Furthermore, the morphologies of the self-assemblied structures could precisely regulated by varying the reaction conditions, including the concentrations of the polyionene and temperature. Additionally, the nitrogen sorption analysis indicated its porosity with a surface area up to 140 m2 g-1. Remarkably, the nanoflowers showed excellent conversion (98.9%) towards oxidative ODS process with six times recycle. This could be ascribed to the large amount of active sites dispersed over the relatively high specific area, providing contact with reactants in (ODS) process. This facile and innovative fabrication method shed new light on the versatile design and construction of nanostructures.

    更新日期:2019-02-13
  • Synergetic effect of a reactive compatibilizer and OMMT on the dispersion of PA6/PDMS blend with a high viscosity ratio
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-12
    Di Wang, Lian-Fang Feng, Xue-Ping Gu, Jiajun Wang, Cailiang Zhang, Aihua He

    The synergetic effect of a reactive compatibilizer and organo-montmorillonite (OMMT) on phase morphology and properties of polyamide 6 (PA6)/polydimethylsilicone (PDMS) blend with a high viscosity ratio of dispersed phase and matrix was studied. A small amount of an amine-terminated copolymer of polyether amine (PEA) and PDMS (PDMS-b-PEA) as a reactive compatibilizer can decrease significantly the dispersed phase domain size. However, the dispersed phase domain size has still been above 2 μm even when the PDMS-b-PEA concentration reaches 5 wt%. OMMT as the second additive can further decrease dramatically the dispersed phase domain size due to the barrier effect for preventing effectively the coalescence of dispersed phase domain. Moreover, the presence of PDMS-b-PEA can promote the uniform dispersion of OMMT. The synergetic effect of PDMS-b-PEA and OMMT can also improve tensile properties and decrease water absorption.

    更新日期:2019-02-13
  • Revealing the hydrogenation performance of RuMo phosphide for chemoselective reduction of functionalized aromatic hydrocarbons
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-12
    Yolanda Bonita, Timothy P. O'Connell, Holly E. Miller, Jason C. Hicks

    Bimetallic transition metal phosphide catalysts are promising materials for low temperature, liquid phase hydrogenation reactions. This work explores the chemoselective hydrogenation ability of RuMoP using various functionalized aromatic hydrocarbons to provide insight into how the functional groups compete for reduction on the surface of RuMoP. Using molecular hydrogen as the reductant, high selectivity (~99%) to reduction of the substituent is achieved for the hydrogenation of electron withdrawing functionalities such as nitrobenzene, benzaldehyde, and benzophenone with RuMoP to yield aniline, benzyl alcohol, and diphenylmethanol, respectively. In contrast, aromatics with electron donating groups such as phenol, anisole, and toluene, show high ring hydrogenation selectivity (~99%) to form cyclohexanol, methoxycyclohexane, and methyl cyclohexane, respectively, although the reaction proceeded slowly with RuMoP. Pyridine adsorption was studied via diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), which provided evidence of surface electron deficient sites (i.e., Lewis acids) that are responsible for targeting the electron rich portion of the substrate. Additional DRIFTS experiments were performed using nitrobenzene, anisole, and a mixture of the two. From these experiments, features associated with -NO2 adsorption in nitrobenzene and ring adsorption in anisole were observed, which correlated well with the observed reaction results. Finally, a solvent study provided evidence for the competitive adsorption of isopropanol and the π-electrons from the aromatic ring of phenol with the former being more favorable on RuMoP surface.

    更新日期:2019-02-13
  • Frontal Polymerization-Oriented Self-Healing Hydrogels and Applications toward Temperature-Triggered Actuators
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-11
    Qing Li, Ji-Dong Liu, Si-Si Liu, Cai-Feng Wang, Su Chen

    Hydrogels that capable of autonomous healing upon damage have attracted wide attentions in recent years. The design and fabrication of hydrogels possessing both excellent self-healing and high strength is highly desired. Herein, we report the facile synthesis of self-healing poly(MAH-β-CD-co-AA) hydrogels (MAH-β-CD = β-cyclodextrin grafted vinyl carboxylic acid groups, AA = acroleic acid) via frontal polymerization (FP) for the first time. When ignited by a soldering iron, frontal polymerization occurred to fabricate poly(MAH-β-CD-co-AA) hydrogels within 10 minutes. The as-fabricated hydrogels exhibited pH-sensitivity, high mechanical strength and could repair themselves autonomously without any external stimuli. In addition, we reinforced poly(MAH-β-CD-co-AA) hydrogel through further cross-linking with N-isopropylacrylamide to form a double network (DN) hydrogel. Benefited from the excellent self-healing property, a Janus bilayer hydrogel towards temperature-triggered actuator was achieved by simply sticking poly(MAH-β-CD-co-AA) and DN hydrogel together. This hydrogel actuator was very sensitive to thermal stimulus, which showed rapid response in several seconds. This work might promote the development of diverse functional self-healing hydrogels via a facile and flexible pathway.

    更新日期:2019-02-13
  • Application of SAFT-VRE in the Flowsheet Simulation of an Advanced PUREX Process
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2019-02-11
    Hongyan Chen, Andrew J. Masters, Robin J. Taylor, Megan Jobson, David A. Woodhead

    SAFT-VRE is an extension of the statistical associating fluid theory for potentials of variable range (SAFT-VR) that can be used to describe the thermodynamic properties of strong-electrolyte solutions. Here the SAFT-VRE method is used in a flowsheet simulation code to calculate the densities of uranyl-nitric acid aqueous solutions and the activities of species that are needed for the calculation of the distribution coefficients of nitric acid and uranium in the nitric acid – 30 % tributyl phosphate (TBP) extraction system that is used in an advanced PUREX process for the reprocessing of spent nuclear fuels. Simulation results of both single stage extraction experiments and of a multistage flowsheet test showed that the SAFT-VRE method can be used in flowsheet simulations with a reasonable accuracy, thus demonstrating for the first time that thermodynamically based meso-scale SAFT-VRE models can be linked to the macro-scale model of the PUREX solvent extraction process.

    更新日期:2019-02-13
  • 更新日期:2019-02-11
  • 更新日期:2019-02-11
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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