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  • 更新日期:2018-07-20
  • Deconvoluting Transient Water Effects on the Activity of Pd Methane Combustion Catalysts
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-19
    Weixin Huang, Emmett D. Goodman, Pit Losch, Matteo Cargnello
    更新日期:2018-07-20
  • Molecular Modeling Study toward Development of H2S-Free Removal of Iron Sulfide Scale from Oil and Gas Wells
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-19
    Wim Buijs, Ibnelwaleed A. Hussein, Mohamed Mahmoud, Abdulmujeeb T. Onawole, Mohammed A. Saad, Golibjon R. Berdiyorov
    更新日期:2018-07-20
  • 更新日期:2018-07-20
  • CO2 Capture in Chemically and Thermally Modified Activated Carbons Using Breakthrough Measurements: Experimental and Modeling Study
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-19
    Mohsen Karimi, Jose Antonio Correia Silva, Carmem Gonçalves, Jose L. Diaz de Tuesta, Alirio Egidio Rodrigues, Helder T. Gomes

    The development of adsorption-based technologies for CO2 capture in the post-combustion processes requires finding materials with high capacity of adsorption and low cost of preparation. In this study, the modification of a commercial activated carbon (Norit ROX 0.8), considered as a solid adsorbent for CO2 capture, and the effects of different methods of activations, chemically (hydrogen peroxide, sulphuric acid, nitric acid and urea) and thermally (at 800 ºC) on adsorption performance have been investigated. Then, CO2 adsorption capacity was studied at different temperatures and pressures to evaluate the effects of various agents on sample performance. The textural properties of the samples were determined using adsorption-desorption isotherms of nitrogen at -196 ºC. Finally, the obtained data were modeled by Response Surface Methodology (RSM) and Langmuir isotherm. The results showed that the prepared sample by successive treatments with nitric acid, urea and thermal calcination has a higher uptake capacity than other modified samples.

    更新日期:2018-07-20
  • Fabrication of polyamide 6 nanocomposite with improved thermal conductivity and mechanical properties by incorporating low content of graphene
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-19
    Rui Wang, Lixin Wu, Dongxian Zhuo, Jianhua Zhang, Youdan Zheng

    A 3D graphene network was constructed in polyamide 6 (PA6) monomers through reduction self-assembly of graphene oxide (GO), and then PA6 nanocomposite with low content of graphene was fabricated through in situ polymerization. The effect of the 3D graphene network on the structure and properties of the PA6 were systematically investigated. Results show that the 3D graphene network can significantly improve the thermal conductivity of PA6. In the case of the PA6 only with 0.25 wt.% graphene, its thermal conductivity is 0.69 W/(m K), about 2.88 times of that of the pure PA6. This improvement is attributed to the more compact thermal conductive paths of the 3D graphene network and its stronger interfacial interaction with PA6 in this work compares to those of pre-synthesized free-standing 3D graphene networks, Moreover, the mechanical properties and water resistance of PA6 also have significantly improved with the incorporation of the 3D graphene network.

    更新日期:2018-07-20
  • The Role of Polyfunctionality in the Formation of [Ch]Cl-carboxylic acid-based DES
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-19
    Emanuel Almeida Crespo, Liliana Silva, Mónia Andreia Rodrigues Martins, Mark Bulow, Olga Ferreira, Gabi Sadowski, Christoph Held, Simao P. Pinho, Joao A.P. Coutinho

    Aiming at providing an extensive characterization of the solid-liquid equilibria (SLE) of deep eutectic solvents (DESs), the phase diagrams of nine eutectic mixtures composed by choline chloride ([Ch]Cl) and (poly)carboxylic acids, commonly reported in the literature as DESs, were measured experimentally. Contrarily to the behavior reported for eutectic mixtures composed of [Ch]Cl (hydrogen-bond acceptor - HBA) and mono-functional hydrogen-bond donors (HBD) such as fatty acids and fatty alcohols, which have recently shown to be almost ideal mixtures, a significant decrease of the melting temperature, at the eutectic point, was observed for most of the systems studied. This melting temperature depression was attributed to a pronounced non-ideality of the liquid phase induced by the strong hydrogen-bond interactions between the two mixture components. Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) was used to describe these interactions physically. PC-SAFT allowed accurately modeling the experimental phase diagrams over the entire concentration and temperature ranges. Depending on the kind of mixture, either one or two temperature-independent binary interaction parameters between HBA and HBD were applied; for few mixtures, binary parameters were not applied at all. The so-developed PC-SAFT approach was used to provide trustworthy information on the non-ideality of the liquid phase (expressed as the activity coefficients of HBA and HBD) as well as to estimate the eutectic points coordinates. The experimental data along with the modelling results allowed to infer about the importance of the HBD’s chemical structure on the formation of [Ch]Cl-based DES.

    更新日期:2018-07-20
  • Dynamic Performance Optimization of a Pilot-scale Reactive Distillation Process by Economics Optimizing Control
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-19
    Daniel Hasskerl, Clemens Lindscheid, Sankaranarayanan Subramanian, Steven Markert, Andrzej Gorak, Sebastian Engell

    The most prominent example of process intensification by process integration is reactive distillation (RD) which can realize a high reactant conversion and a high purity of the target product in equilibrium-limited reaction systems. Reactive distillation is mostly used for single reactions, but realizations for multiple-reaction systems leading to more than one target product can also be found. In multi-purpose chemical processes, the target product of a multiple-reaction system can be switched during the production. When combining fluid separation and multiple-reaction systems, e.g. in a RD column, it is challenging to find operating conditions that lead to the most profitable operation of the process. Economics optimizing control where an economic objective is employed in a model-predictive control framework has the potential to drive the process to the economic optimum during operation based upon a process model and online measurements. However, so far only few applications of such Advanced Process Control (APC) concepts to reactive distillation processes have been realized and these do not concern multiple-reaction systems. In this contribution, we describe the application of economics optimizing control to a multi-product RD process. The selected case study is a homogeneously-catalyzed two-step transesterification reaction that is performed in a RD column in pilot-plant scale.

    更新日期:2018-07-20
  • Cobalt incorporated porous aromatic framework for CO2/CH4 separation
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-19
    zhang weichao, Yuanhui Cheng, Chunshuai Guo, Chengpeng Xie, Zhonghua Xiang

    Natural gas decarburization is an important issue as CO2 reduces its energy density and corrodes equipment with humidity. Here, we used PAF-1 as pours platform and derived PAF-1-SO3Co as an efficient and stable CO2/CH4 separation material by introducing cobalt sulfonate groups. Particularly, transition metal cobalt owns rich D-electron orbit and interacts with polar molecules evidently, which is suitable for improving the interaction between polar adsorbate and adsorbent. The experiment results further demonstrate this rule and show that the selectivity of PAF-1-SO3Co reaches 14.27 at 298 K and 1 bar, which has increased almost 5 times than PAF-1. Importantly, PAF-1-SO3Co exhibits remarkably high regenerability (74.6%) and sorbent selection parameter (S, 85.8). Moreover, PAF-1-SO3Co has dramatically high working stability, whose adsorption performance shows ignorable decrease after soaking in simulated acidic environment even for one week. Accordingly, PAF-1-SO3Co is a promising adsorbents for separation and purification of CO2 from natural gas.

    更新日期:2018-07-20
  • Recent Advances in Structural Modifications of Hyperbranched Polymers and Their Applications
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-19
    Shahidul Islam Bhat, Younes Ahmadi, Sharif Ahmad

    Hyperbranched polymers (HPs) are subclass of dendritic polymers, having globular and highly branched structure, containing number of functional groups emerging from a core. The core contains more than two functional sites where the growing branches are connected, resulting in the formation of a 3D macromolecule comprising large number of peripheral groups. Their versatile properties and facile structural modifications have attracted considerable attention of researchers. HPs have been potentially used in various applications such as coatings, drug delivery, nanotechnology, additives, sensors, solar cells, etc. Thus, present review emphasizes on recent structural modifications of HPs that result in enhancement of existing or emerging new properties. In addition, these modifications have broadened the use of HPs in various advanced technologies such as biological applications, storage devices, energy convertors, catalysis etc., which have not been covered in earlier reviews. Further, this article discusses the limitations associated with their fabrication and application in various fields.

    更新日期:2018-07-20
  • Modification of poly(butylene 2,5-furandicarboxylate) with lactic acid for biodegradable copolyesters with good mechanical and barrier properties
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-19
    Han Hu, Ruoyu Zhang, Lei Shi, Wu Bin Ying, Jinggang Wang, Jin Zhu

    Fully bio-based poly(butylene 2,5-furandicarboxylate)-co-poly(lactic acid)s (PBFLAs) of lactic acid composition from 10% to 40% are synthesized. They are subjected to molecular, thermal, diffractometric, degradable and mechanical characterizations. Thermogravimetric analysis shows that PBFLA are thermally stable at least 350 °C, much higher than PLA. After the incorporation of lactic acid units, both Tm and crystallization rate decrease with respect to homopolymers. X-ray diffraction measurements indicate that no PLA crystal is present during crystallization. All samples perform better barrier properties with respect to PLA, implying potential application in packaging. These samples behave like semi-crystalline plastic in the tensile tests. PBFLA copolyesters show Young's modulus, maximum tensile strength and breakage elongation higher than 1000 MPa, 38 MPa and 230%, respectively. Such comprehensive mechanical behaviors exceed most biodegradable materials. Lastly, biodegradability could be significantly improved when more than 20% of lactic acid units are introduced into homopolymers.

    更新日期:2018-07-20
  • Comparing immobilized cellulase activity in a magnetic three-phase fluidized bed reactor under three types of magnetic field
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-19
    Jun Cui, Lin Li, Lingmei Kou, Hui Rong, Bing Li, Xia Zhang

    A novel, magnetic three-phase fluidized bed reactor (MTFBR) was designed with magnetic immobilized cellulase (MIC) as the biocatalyst for preparing chitooligosaccharides from chitosan. The MIC showed higher enzyme activity in a pulse magnetic field (PMF) than that in a steady magnetic field (SMF) or alternating magnetic field (AMF) under certain operating parameters. The application of a magnetic field increased the maximum reaction rate (Vmax) and Michaelis constant (Km), and the reaction rates of the MIC-catalysed reaction in PMF and SMF at high concentration of chitosan solution (Cs, 5 < Cs < 20 mg/mL) increased as the intensity of the magnetic field increased. The concentrations of chitosan pentamer and hexamer produced were higher in the PMF than that in the SMF and AMF, and the application of a magnetic field greatly reduced (by as much as 37.5%) the biocatalytic reaction time required to reach the maximum concentration of the desired chitooligosaccharides. These results suggest that the customized MTFBR supplemented with MIC is a reusable and effective piece of biocatalytic equipment, indicating that it has potential applications for large industrial-scale chitooligosaccharide syntheses.

    更新日期:2018-07-20
  • Enhanced Anticorrosion Performance and Mass Preparation of Magnetic-Metals Doped Zinc Oxide Nano Solid Solutions
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-19
    Xi-Zi Xue, Juan Shen, Jing-Yu Zhang, Jin-Ku Liu, Xiaogang Wang, Zi-Chun Zhu

    To enhance the limited anticorrosion property of ZnO nanoparticles (NPs), magnetic-metals doped ZnO nano solid solutions (M-ZnO NSSs, M=Fe, Co, Ni) were synthesized by a calcination modification method. Through investigating the electron transfer postponement by magnetic-metals and sediment layer obstructing erosion by electrolyte, a synergistic mechanism was concluded. Compared with ZnO, the impedance of Fe, Co and Ni doped ZnO NSSs dramatically increased by 757.0%, 1067.4% and 950.9% after exposure to 3.5 wt% NaCl solution for 72 h, respectively. The mass preparation and charge transfer disturbance of M-ZnO NSSs provide the industrial anticorrosion with a new horizon.

    更新日期:2018-07-20
  • Adsorption Isotherms of Liquid Isomeric Mixtures
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-19
    Thomas Goetsch, Patrick Zimmermann, Bettina Scharzec, Sabine Enders, Tim Zeiner

    To separate linear and branched molecules in a liquid state, adsorption on porous materials is a promising separation method. To calculate the adsorption isotherms, a combination of lattice cluster theory and density functional theory was introduced recently, allowing the prediction of branched molecules’ adsorption isotherms based on the knowledge of the adsorption isotherms of the pure linear substances. But these models are not practicable for process simulation and optimization because of their high numerical effort. Therefore, a simpler adsorption model based on the lattice cluster theory was developed to provide the results of the density functional theory approach for the process development. In addition to the adsorption isotherms calculations, the model also considers the overall mass balance of the adsorption process. The model was validated for the adsorption of two binary, liquid alkane systems on three different adsorbents. Therefore, adsorption isotherms of these mixtures on activated coal, zeolite and silica gel were measured. A good agreement of experimental and calculated adsorption isotherms was observed for all systems.

    更新日期:2018-07-20
  • Process characteristics and rheological properties of free radical polymerization in microreactors
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-19
    Yang Song, Minjing Shang, Hong Zhang, Wen-Hua Xu, Xin Pu, Qinghua Lu, Yuanhai Su

    Process characteristics of non-living free radical polymerization of acrylamide in capillary microreactors were investigated at high temperatures (70~90 °C). Poly(acrylamide) with Mn of 3.4×105 and PDI of 2.6 could be obtained with 1.61 min residence time at 70 °C. The reaction mixture viscosity increased significantly during polymerization resulting in high pressure drops in microreactors. The reaction mixture changed from Newtonian fluid to non-Newtonian fluid with the polymerization processing. Furthermore, the rheological test indicated that hydrogels were produced in this polymerization process. Reynolds number and Bodenstein number were calculated to evaluate flow behaviors in microreactors. Low values of Re and Bo indicated strictly laminar flow and obvious deviations from plug flow in capillary microreactors during the polymerization. Based on pressure drop measurement, the energy balance calculation was conducted to assess the energy consumption during the polymerization. Moreover, the polymerization performance in the microreactor was compared with that in the batch reactor.

    更新日期:2018-07-20
  • Highly Efficient Transfer Hydrogenation of Levulinate Esters to γ-Valerolactone over Basic Zirconium Carbonate
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-18
    Fukun Li, Zhangmin Li, Liam John France, Jiali Mu, Changhua Song, Yuan Chen, Lilong Jiang, Jinxing Long, Xuehui Li
    更新日期:2018-07-19
  • Enhancement of Low-Temperature Catalytic Activity over a Highly Dispersed Fe–Mn/Ti Catalyst for Selective Catalytic Reduction of NOx with NH3
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-18
    Jincheng Mu, Xinyong Li, Wenbo Sun, Shiying Fan, Xinyang Wang, Liang Wang, Meichun Qin, Guoqiang Gan, Zhifan Yin, Dongke Zhang
    更新日期:2018-07-19
  • Computer-Aided Screening of Ionic Liquids As Entrainers for Separating Methyl Acetate and Methanol via Extractive Distillation
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-18
    Zhaoyou Zhu, Xueli Geng, Wei He, Chao Chen, Yinglong Wang, Jun Gao
    更新日期:2018-07-19
  • Cu2O and rGO Hybridizing for Enhancement of Low-Concentration NO2 Sensing at Room Temperature
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-18
    Junli Pan, Weiqiao Liu, Le Quan, Ning Han, Shouli Bai, Ruixian Luo, Yongjun Feng, Dianqing Li, Aifan Chen
    更新日期:2018-07-19
  • Enhanced Thermal Conductivity of Segregated Poly(vinylidene fluoride) Composites via Forming Hybrid Conductive Network of Boron Nitride and Carbon Nanotubes
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-18
    Zhi-Guo Wang, Yan-Fei Huang, Guo-Qiang Zhang, Han-Qin Wang, Jia-Zhuang Xu, Jun Lei, Lei Zhu, Feng Gong, Zhong-Ming Li
    更新日期:2018-07-19
  • Microkinetic Modeling and Reduced Rate Expression of the Water–Gas Shift Reaction on Nickel
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-18
    Thiago P. de Carvalho, Rafael C. Catapan, Amir A. M. Oliveira, Dionisios G. Vlachos
    更新日期:2018-07-19
  • 更新日期:2018-07-19
  • Fine Tuning the Heterostructured Interfaces by Topological Transformation of Layered Double Hydroxide Nanosheets
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-18
    Yanqi Xu, Zelin Wang, Ling Tan, Yufei Zhao, Haohong Duan, Yu-Fei Song
    更新日期:2018-07-19
  • Tetragonal Rutile SnO2 Solid Solutions for NOx-SCR by NH3: Tailoring the Surface Mobile Oxygen and Acidic Sites by Lattice Doping
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-18
    Jingyan Zhang, Yaqian Liu, Yue Sun, Honggen Peng, Xianglan Xu, Xiuzhong Fang, Wenming Liu, Jianjun Liu, Xiang Wang
    更新日期:2018-07-19
  • Photocatalytic Production of Bisabolene from Green Microalgae Mutant: Process Analysis and Kinetic Modeling
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-18
    Irina Harun, Ehecatl Antonio Del Rio-Chanona, Jonathan L. Wagner, Kyle J. Lauersen, Dongda Zhang, Klaus Hellgardt
    更新日期:2018-07-19
  • A System Dynamics Model for Analyzing Future Natural Gas Supply and Demand
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-18
    Farzaneh Daneshzand, Mohammad Reza Amin-Naseri, Ali Elkamel, Michael W. Fowler

    This paper models natural gas supply and demand system using a system dynamics approach to determine whether current policies for a given country will sustain its long term natural gas demand. The dynamic effects of natural gas supply and demand, as well as the relationships between the oil and gas sectors are modeled. Of particular interest is to investigate whether the natural gas supply and demand system in a country can provide sufficient capital for future natural gas resource development. The model is illustrated on the case study of Iran, and it is shown that continuing the current trends will result in a gap between natural gas domestic demand and supply, with no natural gas remaining for export. Some policies regarding the increase in domestic natural gas price and more natural gas export are proposed, and their effectiveness in filling the supply and demand gap is examined in three scenarios.

    更新日期:2018-07-19
  • Extractive Distillation Optimization using Simulated Annealing and a Process Simulation Automation Server
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-18
    Xiao-Ling Yang, Jeffrey Daniel Ward

    In this work, continuous extractive distillation processes were optimized using simulated annealing (SA). The processes were modeled in Aspen Plus and the simulated-annealing optimization algorithm was implemented in MATLAB. For the separation of acetone and methanol, the TAC of the process for each entrainer considered was lower than the initial condition taken from the literature. For the separation of n-hexane and ethyl acetate, NMP, 2-methylpyridine, 3-methylpyridine, DMF, and pyrrole were considered as possible entrainers. The results show that DMF offers the best performance and economic benefit. For the separation of n-hexane and tetrahydrofuran, the candidate entrainers were DMF, NMP, and 2-methylpyridine. DMF was again found to be the most suitable entrainer. The results show that the SA algorithm has the advantage of running automatically and has a high probability to obtain a design near the global optimum.

    更新日期:2018-07-19
  • Dynamic Routing Optimization for Chemical Hazardous Material Transportation under Uncertainties
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-18
    Honglin Qu, Jialin Xu, Sujing Wang, Qiang Xu

    The chemical hazardous material (Hazmat) transportation has become a very important safety issue to human society and environment. Great attention has been drawn to reduce potential risks and incidents. In this paper, a new methodology is proposed for the dynamic routing optimization of the chemical Hazmat transportation, which includes four major stages: (i) information collection and preparation; (ii) modeling and solving individual and system routing models; (iii) reactive routing optimization under uncertainties; and (iv) tradeoff study for potential shipping delays. A novel MILP model has been developed to determine the optimal shipping path with the minimal transportation risk. This model consists of two parts: the individual and system routing models, which are designed to explore the optimal shipping path for each shipping pair and all transportation tasks, respectively. When uncertainties occur, reactive routing optimization will be performed for handling the leftover transportation tasks. In particular, if some preset shipping time limits are violated due to severe uncertainties, optimal solutions subject to different allowable shipping time (AST) will be iteratively identified, so that the relation between AST and the corresponding transportation risk can be figured out. The efficacy of the developed model has been demonstrated by three case studies. Through the developed model, a reduction of 46% and 34% on system transportation risks of studied transportation tasks can be accomplished when dealing with uncertainties. The obtained relation can be used to trade off AST and the transportation risk, so that stakeholders can be advised on their decision-making for shipping path selection.

    更新日期:2018-07-19
  • Organosilane Surfactant-directed Synthesis of Hierarchical ZSM-5 Zeolites with Improved Catalytic Performance in MTP Reaction
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-18
    Huiyong Chen, Mengfei Yang, Wenjin Shang, Yao Tong, Baoyu Liu, Xiaolong Han, Jianbo Zhang, Qingqing Hao, Ming Sun, Xiaoxun Ma

    The hierarchical ZSM-5 zeolites with interconnected meso-/microporosity have been successfully synthesized by using the commercial organosilane surfactant TPOAC as the mesopore structure-directing agent, and the influence of the TPOAC/SiO2 ratio in the initial synthesis gel on the crystallinity, hierarchical structure, and acidity of the obtained hierarchical ZSM-5 zeolites were systematically investigated through a combination of XRD, FTIR, SEM, TEM, N2 adsorption, TGA, ICP, and NH3-TPD techniques. The catalytic performance was evaluated by the methanol-to-propylene (MTP) reaction, and the obtained results indicated that the hierarchical ZSM-5 catalysts directed by TPOAC exhibited significant enhancement in the catalytic performance reflected at activity, lifetime, product yield, P/E ratio, and coke toleration by virtue of their superior meso-/micropore interconnectivity and appropriately weakened acidity, comparing with the commercial bulky ZSM-5 and the conventional sole micropore ZSM-5.

    更新日期:2018-07-19
  • Successive LP Approximation for Non-Convex Blending in MILP Scheduling Optimization using Factors for Qualities in the Process Industry
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-18
    Jeffrey Dean Kelly, Brenno C Menezes, Ignacio E. Grossmann

    We develop a linear programming (LP) approach for nonlinear (NLP) blending of streams to approximate non-convex quality constraints by considering property variables as constants, parameters or coefficients of qualities that we call factors. In a blend-shop, these intensive properties of streams can be extended by multiplying the material flow carrying out these amounts of qualities. Our proposition augments equality balance constraints as essentially cuts of quality material flow for each property specification in a mixing point between feed sources and product sinks. In the LP factor formulation, the product blend quality is replaced by its property specification and variables of slacks and/or surpluses are included to close the balance; these are called factor-flows and well-known in industry as product giveaways. Examples highlight the usefulness of factors in successive substitution by correcting nonlinear blending deltas in mixed-integer linear models (MILP) and to control product quality giveaways or premium specifications in blend-shops.

    更新日期:2018-07-19
  • Size-dependent Surface Basicity of Nano-CeO2 and the Desorption Kinetics of CO2 on its Surface
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-18
    Zixiang Cui, Junzhen Gan, Jie Fan, Yongqiang Xue, Rong Zhang

    The desorption kinetics of nano-catalysts which is significantly influenced by the particle size has crucial effects on catalytic performances. Herein, the desorption activation energy (Ed) and the desorption pre-exponential factor (A) for CO2 on nano-CeO2 with different particle sizes were obtained by temperature-programmed desorption (TPD). Meanwhile, we found that the particle size has a significant effect on surface basicity. The effects of particle size on Ed, A and surface basicity were discussed, as well as the relations between desorption kinetics and surface basicity. The results indicate that with the particle size decreasing, Ed, A, the strength and the amount of basic sites increase, and Ed, lnA and the amount of basic sites are linearly related with the diameter. Meanwhile, the strength and the amount of basic sites increase with the surface area increasing. The influence of particle size on desorption kinetics can be attributed to the effect of particle size on surface basicity.

    更新日期:2018-07-19
  • Natural Gas to Liquid Transportation Fuels under Uncertainty Using Robust Optimization
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-18
    Logan Ryan Matthews, Yannis A Guzman, Onur Onel, Alexander M Niziolek, Christodoulos A. Floudas

    The current pricing climate for natural gas and liquid transportation fuels adds a significant amount of uncertainty when designing new natural gas to liquid transportation fuel (GTL) refineries. Robust optimization is a useful tool for optimization under uncertainty, and can be specifically applied to the problem of GTL process synthesis under feedstock price, product price, and investment cost uncertainty. Using historical data to define uncertain price parameters according to an assumed uniform distribution, a process synthesis superstructure with an uncertain objective function was created to maximize the profit of a GTL refinery. Recently developed, tight probabilistic bounds were used a priori and a posteriori in an iterative method to provide solutions with known probabilities of constraint violation for three different uncertainty sets. The relative impact of price and investment cost uncertainties are discussed, as is the impact of uncertainty on the overall guaranteed profit of a refinery, the refinery topology, and product distributions. The profitability results with probabilistic guarantees provide useful information for potential GTL refinery investors in the current uncertain energy markets.

    更新日期:2018-07-19
  • Mass Transfer Coefficient as an Indicator of Resin Performance: Impacts of Film Forming Amines and Storage Time on Condensate Polishing Ion Exchange Resins
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-18
    Maruful Hasan, M. Montashirur Rahman, Ahmedul Kabir, Allen Apblett, Gary L Foutch

    Ion exchange resins used in ultrapure water processing are known to lose effectiveness with fouling. Mass transfer coefficient (MTC) is one property that defines acceptable resin performance. MTC is measured by a simple column test with known feed concentration of ions at sufficient flow to achieve kinetic leakage out of bed. MTC deviation due to exposure to film forming amines (FFAs), as well as impacts of resin storage time, are investigated. A filming amine (FA), octadecylamine (ODA), was evaluated experimentally for potential impacts on condensate polisher ion-exchange bead resins (Dowex MS 650C (H) and Dowex MS 550A (OH)). Results indicate significant reductions in MTC on both cationic and anionic resin. In addition, unused resin stored for excessive times, up to 16 years, showed MTC reduction.

    更新日期:2018-07-19
  • Simultaneous Tar Reforming and Syngas Methanation for Bio-SNG
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-18
    Junjie Zhang, Guangyong Wang, Shaoping Xu

    Biomass steam gasification in a free-fall reactor followed by the as-produced biogenous syngas upgrading over Ni/olivine and Ni/olivine+CaO in a countercurrent moving bed reactor was performed in this study. In the newly developed moving bed configuration, the tar in the syngas was steam reformed and simultaneously the syngas was methanated. As a preliminary part of this research, the influences of tar on syngas methanation at different temperatures and H2O contents were studied as well in a fixed-bed reactor with toluene as a model tar compound. It was found that the carbon deposition behavior was greatly affected by the reaction conditions. During raw biogenous syngas upgrading over Ni/olivine in the countercurrent moving bed upgrading reactor, both CH4-rich gas production and tar elimination with good resistance towards carbon deposition were achieved. With the introduction of CO2 sorbent into the upgrading reactor further, CH4/H2 mixture was achieved.

    更新日期:2018-07-19
  • Enhanced osteoblasts responses to surface-sulfonated polyetheretherketone via a single-setp UV-initiated graft polymerization
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-18
    Yanyan Zheng, Lvhu Liu, Ying Ma, Li Xiao, Ying Liu

    Polyetheretherketone (PEEK) has the potential to replace traditional metallic materials as an orthopedic and dental implant because its elastic modulus is similar to natural bone, although its intrinsic bioinertness hampers its clinical application. In this study, sulfonate groups were introduced onto the PEEK surface through a single-step UV-initiated graft polymerization of vinylsulfonic acid sodium. Diffuse reflectance Fourier transform infrared spectroscopy (DRFTIR) and X-ray photoelectron spectroscopy (XPS) analyses confirmed the successful attachment of sulfonate groups to the PEEK surfaces. A decreased angle of contact suggested there was an increase in hydrophilicity as a result of endowing the PEEK surface with sulfonate groups. Atomic force microscopy (AFM) revealed there to be no significant changes in surface topology and roughness as a result of the surface modification. In vitro cell adhesion, viability assay, alkaline phosphatase activity and extracellular matrix mineralization analyses, and real-time PCR analyses showed increased adhesion, spreading, and proliferation, and osteogenic differentiation capacity on the surface-sulphonated PEEK substrate compared to the unmodified PEEK. Thus, the results indicated that the surface-sulphonated PEEK has a great potential for use in orthopedic and dental implants.

    更新日期:2018-07-19
  • Real Time Operational Optimization of a Seawater Desalination System Based on Rolling Prediction of Hourly Freshwater Demand
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-17
    Quannan Zhang, Aipeng Jiang, Minliang Gong, Haokun Wang, Jian Wang, Shu Jiangzhou
    更新日期:2018-07-18
  • Prediction of Gas and Liquid Solubility in Organic Polymers Based on the PR+COSMOSAC Equation of State
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-17
    Li-Hsin Wang, Chieh-Ming Hsieh, Shiang-Tai Lin
    更新日期:2018-07-18
  • 更新日期:2018-07-18
  • 更新日期:2018-07-18
  • High thermal conductivity and mechanical properties of nanotube@Cu/Ag@graphite/aluminum composites
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-17
    Xiaopeng Han, Ying Huang, Qiao Gao, Meng YU, Xuefang Chen

    The weak interfacial bonding and agglomeration of reinforcement are critical challenges for the expected performance and hider extensive application of aluminum matrix composites. In this work, the Cu particles with nanotube, Ag-coated graphite flakes and films, urea and starch were mixed together to fabricate porous performs, which then were infiltrated by vacuum gas pressure infiltration in 720 ℃. Effects of graphite film thickness (0.1 mm, 0.3 mm, 1 mm) on microstructure and properties of thermal conductivity (TC), coefficient of thermal expansion (CTE) and bending strength were investigated. The nanotube@Cu/Ag@graphite/aluminum composites exhibited high TC of 451 W/mK and excellent bending strength of 74 Mpa, which were approximately increased by 48.8 % and 126 % comparing with the samples without graphite film.

    更新日期:2018-07-18
  • Coking of Catalysts in Catalytic Glycerol Dehydration to Acrolein
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-17
    Xuechao Jiang, Chunhui Zhou, Riccardo Tesser, Martino Di Serio, Dongshen Tong, Junrui Zhang

    Catalytic glycerol dehydration provides a sustainable route to produce acrolein as glycerol is a bio-available platform chemical. However, in this process catalysts are rapidly deactivated due to coking. This paper examines and discusses recent insights into coking in catalytic glycerol dehydration. The nature and location of coke and the rate of coking depend on feedstock, operating conditions, and the acidity and the pore structure of the solid catalysts. Several methods have been suggested for inhibiting the coking and slowing the deactivation of catalyst, including: (1) co-feeding of oxygen; (2) tuning of the pore size of the solid acid catalysts; (3) doping noble metals (Ru, Pt, Pd) into the solid acid catalysts ; and (4) designing new reactors. The present methods for inhibiting coking are still unsatisfactory. The deactivated catalysts can be regenerated by removing coke. Nevertheless, the rapid deactivation of the regenerated catalyst remains problematic. The literature survey indicates that the exact compositions of the coke in glycerol dehydration remain elusive. The thermodynamics, the kinetics and the formation mechanism of coking need probing so as to advance the development of a catalyst with high activity, selectivity and resistance to coking an to put the catalytic glycerol dehydration into practice.

    更新日期:2018-07-18
  • Combined Steam Reforming of Methane and Formic Acid to Produce Syngas with an Adjustable H2:CO Ratio
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-17
    Ahmadreza Rahbari, Mahinder Ramdin, Leo J.P. van den Broeke, Thijs J. H. Vlugt

    Syngas is an important intermediate in the chemical process industry. It is used for the production of hydrocarbons, acetic acid, oxo-alcohols and other chemicals. Depending on the target product and stoichiometry of the reaction, an optimum (molar) ratio between hydrogen and carbon monoxide (H2:CO) in the syngas is required. Different technologies are available to control the H2:CO molar ratio in the syngas. The combination of Steam Reforming of Methane (SRM) and the Water Gas Shift (WGS) reaction is the most established approach for syngas production. In this work, to adjust the H2:CO ratio we have considered formic acid as a source for both hydrogen and carbon monoxide. Using thermochemical equilibrium calculations, we show that the syngas composition can be controlled by co-feeding formic acid (FA) into the SRM process. The H2:CO molar ratio can be adjusted to a value between one and three by adjusting the concentration of FA in the reaction feed. At steam reforming conditions, typically above 900 K, FA can decompose to water and carbon monoxide, and/or to hydrogen and carbon dioxide. Our results show that co-feeding FA into the SRM process can adjust the H2:CO molar ratio in a single step. This can potentially be an alternative to the WGS process.

    更新日期:2018-07-18
  • Regenerable CuO/γ-Al2O3-Reduced Graphene Oxide Adsorbent with a High Adsorption Capacity for Dibenzothiophene from Model Diesel Oil
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-16
    Hongqin Ma, Xiao Sun, Meijie Wang, Jiasheng Zhang

    This research focused on the removal of dibenzothiophene (DBT) from model diesel oil using CuO-loaded γ-Al2O3-reduced graphene oxide (CuO/γ-Al2O3-RGO) as an adsorbent, which possesses the highest adsorption capacity among reported regenerable graphene-related materials. The boehmite-RGO supports were synthesized using a one-pot hydrothermal synthesis method. As the RGO sheet surfaces are completely covered and isolated by boehmite nanorods formed via hydroxyl condensation of [Al(OH)x](3-x)+ or Al(OH)3 and the -OH of graphene oxide (GO), the specific surface area of boehmite-RGO increased to 378 m2/g, which is 20.8% higher than that of RGO (313 m2/g). CuO/γ-Al2O3-RGO adsorbents with different CuO contents were prepared, and their DBT adsorption desulfurization properties were evaluated. With a 2% mass ratio of CuO to boehmite-RGO, CuO/γ-Al2O3-RGO displays the highest DBT adsorption capacity (6.0 mg S/g) under ambient conditions, which improved by 53.8% in comparison with that of pure RGO (3.9 mg S/g). Moreover, the regeneration of the CuO/γ-Al2O3-RGO adsorbent is much more practical than that of the pure RGO adsorbent.

    更新日期:2018-07-18
  • Tuning Strategies for Overcoming Fouling Effects in PID-controlled Heat Exchangers
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-16
    Carolina Borges de Carvalho, Esdras P. Carvalho, Mauro A. S. S. Ravagnani

    Fouling is one of the main causes of industrial problems regarding shell and tube heat exchangers operation and control. Although fouling is a time dependent phenomenon, most papers in literature focuses on fouling mitigation in steady-state heat recovery. In this work, it is presented a lumped parameter model to describe time-varying conditions and its influence in controller tuning. For each modeling cell, there are four input variables (inlet temperatures and flowrates for shell and tube sides), which generate two output signals (outlet temperatures for shell and tubes). The influence of fouling in process control is evaluated by considering intermediate values of thermal resistance of fouling ($R_f$), simulating its variation with time. The model was implemented in MATLAB/Simulink and simulations have been carried out for different periods of operation. A step change was applied in the shell flow rate to evaluate the response in the tube outlet temperature. Results show that periodic fitting in PID parameters are needed to keep the tube outlet stream at the desired temperature. Moreover, two optimization strategies are presented for tuning controller gains constrained by some step response performance indicators. Three case studies have been taken as benchmarks and results show that this strategy is promising.

    更新日期:2018-07-18
  • Towards the insights into fast CO2 absorption over novel nanostructured MgO-based sorbent
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-16
    Lixia Yang, Dan Liu, Pingping Wang, Hwimin Seo, Jianzhou Gui, Yong-Ki Park

    A uniform nanoplate-like MgO-based sorbents were prepared with eitelite and hydromagnesite intergrowing each other, and their CO2 capture capacity was evaluated for fast CO2 absorption in thermal swing absorption process, with model wet industrial flue gas at a CO2 concentration of 14.5 vol%, at ambient pressure. Fast absorption and desorption rate, acceptable dynamic absorption capacity and good cyclic stability (9wt% after recycling 100 times) have been obtained. Some theoretical work has been carried out and found eitelite was the only origin of the active MgO species for fast CO2 uptake in TSA process. Nitrate was also demonstrated to have some promotive effect in CO2 fast absorption on the active MgO species. The effectiveness of eitelite was close related to its special crystal structure, i.e., after calcination, the special layer assembling with the proximity of Na+ and O2- at a molecular level probably contributed to the fast absorption. Meanwhile, the void space caused by decarbonization of hydromagnesite may also facilitate the absorption and diffusion of CO2. Therefore, this sorbent has been demonstrated to be a potential absorbent for post-combustion CO2 capture from fossil-fuel-fired power plant.

    更新日期:2018-07-18
  • Moving Horizon Optimal Estimation for Temperature Distribution of FCCU Riser Reactor
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-16
    mengying LI, Yi Zheng, Shaoyuan Li

    The temperature distribution of riser reactor plays an important role in fluid catalytic cracking unit (FCCU) since it directly affects the quantity and quality of the product. However, there are only limited thermocouples installed on the FCCU riser. In order to monitor the axial temperature distribution of the riser, a neighborhood optimization based distributed moving horizon estimation (N-DMHE) is proposed. The riser reactor is divided into several subsystems according to the location of thermocouples, and the temperature distribution of every subsystem is estimated by an individual small-scale moving horizon estimation (MHE). These MHEs are solved serially in distributed framework. Consequently, the computational time is saved to satisfy the requirement of online implementation. The performance index for each subsystem includes cost functions not only by itself but also by its neighbors, which is called neighborhood optimization. The neighborhood optimization is a cooperative strategy so that the global performance can be efficiently improved. The proposed method is applied to a FCCU in JiuJiang Petrochemical Co. Ltd. The experiment results show the effectiveness of the proposed method.

    更新日期:2018-07-18
  • Economics and controllability of conventional and intensified extractive distillation configurations for acetonitrile/methanol/benzene mixtures
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-16
    Chao Wang, Chen Wang, Yue Cui, Chao Guang, Zhishan Zhang

    For the industrial separation problem of acetonitrile/methanol/benzene involving three azeotropes, this article proposes two novel intensified configurations with chlorobenzene as solvent by extending extractive dividing-wall column (EDWC) and side-stream extractive distillation column (SEDC) from single azeotropic to multi-azeotropic mixtures, and makes a comparison with a conventional extractive distillation (CED) configuration in aspects of economic and controllability. Steady-state designs are optimized via using the sequential iterations search based on minimum total annual cost (TAC). The results show that extended-EDWC and extended-SEDC compared to CED can reduce TAC by 6.32%, 14.39% and energy consumption by 4.26%, 20.59% respectively. As far as controllability is concerned, all proposed control structures can hold products at high purities with acceptable deviations and short settle time after introducing feed flow and composition disturbances. Overall, apparent economic benefits and high energy-efficiency provided by the extended-SEDC configuration can be achieved without a deterioration of control behavior for some multi-azeotropic mixtures.

    更新日期:2018-07-18
  • Amphiphobic PFTMS@nano-SiO2/ePTFE Membrane for Oil Aerosol Removal
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-16
    Chong Xu, Jian Fang, Ze-xian Low, Shasha Feng, Min Hu, Zhaoxiang Zhong, Weihong Xing

    Synthetic expanded polytetrafluoroethylene (ePTFE) membrane has a wide range of applications, including aerosol and dust removal, and exhibits high dust removing efficiency, high air permeability and cost-effectiveness. However, the intrinsic oleophilic surface of ePTFE limits its application in oil bearing gas-solid separation process. Herein, we report a surface modification method to prepare amphiphobic ePTFE membranes via coating of a layer of 1H,1H,2H,2H-Perfluorooctyltrimethoxysilane (PFTMS) – modified nano-SiO2 onto the surface of ePTFE fibers. The oil contact angle of the modified ePTFE membranes was increased from 0° to 123°, while retaining the initial water contact angle of 142°. The amphiphobic membrane shows excellent oil aerosol filtration efficiency with a comparative low pressure drop and high oil rejection rate of 99.5%. Remarkably, the membrane can be reused after simple rinsing with water. The oil aerosol filtration efficiency of membrane remained as high as 98.5% after five cycles of filtration and cleaning.

    更新日期:2018-07-18
  • Simultaneous Scheduling and Routing of Pipeless Plants in Different Layouts
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-16
    Munawar A. Shaik, Pulkit Mathur
    更新日期:2018-07-16
  • Simultaneous NO Reduction and Hg0 Oxidation over La0.8Ce0.2MnO3 Perovskite Catalysts at Low Temperature
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-16
    Jianping Yang, Mingguang Zhang, Hailong Li, Wenqi Qu, Yongchun Zhao, Junying Zhang
    更新日期:2018-07-16
  • Proportional-Integral Control and Model Predictive Control of Extractive Dividing-Wall Column Based on Temperature Differences
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-13
    Zemin Feng, Weifeng Shen, Gade Pandu Rangaiah, Lichun Dong

    Extractive dividing-wall column (EDWC) was proved to be a promising energy-saving technique for the separation of multiple azeotropes or closing-boiling mixtures; however, its controllability is very challenging due to its intensified structure with smaller physical space and strong interactions. While most studies on the EDWC control focused on evaluating the performance of temperature or composition control using proportional-integral (PI) control, nevertheless, significant steady-state offsets and overshoots are present in the control of two product purities of EDWC under different disturbances. In this paper, the performance of single temperature control (TC), temperature difference control (TDC) and double temperature control (DTDC) schemes for PI control of EDWC was firstly examined. The results show that the steady-state offsets in product purities of TDC scheme are much smaller than those of TC and DTDC schemes. Subsequently, the offset-free model predictive control (MPC) based on temperature differences was proposed to improve the operation of EDWC. The results indicate that this MPC scheme can achieve much better control performance than PI control in terms of maximum transient deviation, amplitude of oscillations and setting time.

    更新日期:2018-07-15
  • 更新日期:2018-07-14
  • Optimal Water Quality Control of Sequencing Batch Reactors Under Uncertainty
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-13
    Bárbara E. Rodríguez-Pérez, Antonio Flores-Tlacuahuac, Luis Ricardez-Sandoval, Francisco José Lozano
    更新日期:2018-07-14
  • 更新日期:2018-07-14
  • Development of a Rigorous Modeling Framework for Solvent-Based CO2 Capture. Part 2: Steady-State Validation and Uncertainty Quantification with Pilot Plant Data
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-13
    Joshua C. Morgan, Anderson Soares Chinen, Benjamin Omell, Debangsu Bhattacharyya, Charles Tong, David C. Miller, Bill Buschle, Mathieu Lucquiaud
    更新日期:2018-07-14
  • Reaction Kinetics of CO2 with Monoethanolamine in n-Propanol. 1. Reaction Kinetic Data and Comparison with Existing Rate Law Expressions
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-13
    Louis J. Du Preez, Jakobus P. Barnard, Linda H. Callanan, Johannes H. Knoetze
    更新日期:2018-07-14
  • Development of a Novel Hydrophobic ZrO2–SiO2 Based Acid Catalyst for Catalytic Esterification of Glycerol with Oleic Acid
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-13
    Pei San Kong, Patrick Cognet, Yolande Pérès, Jerome Esvan, Wan Mohd Ashri Wan Daud, Mohamed Kheireddine Aroua
    更新日期:2018-07-14
  • Controllable Microfluidic Fabrication of Magnetic Hybrid Microswimmers with Hollow Helical Structures
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-13
    Meng-Jiao Tang, Wei Wang, Zhi-Lu Li, Zi-Ming Liu, Zhi-Yu Guo, Hua-Yu Tian, Zhuang Liu, Xiao-Jie Ju, Rui Xie, Liang-Yin Chu
    更新日期:2018-07-14
  • Plant-Wide Scheduling for Profitable Emission Reduction in Petroleum Refineries
    Ind. Eng. Chem. Res. (IF 3.141) Pub Date : 2018-07-12
    Jialin Xu, Jian Zhang, Qiang Xu
    更新日期:2018-07-14
  • 更新日期:2018-07-14
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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