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Industrial & Engineering Chemistry Research

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https://www.readbyqxmd.com/read/29657359/direct-numerical-simulation-of-fluid-flow-and-mass-transfer-in-particle-clusters
#1
Jiangtao Lu, Elias A J F Peters, Johannes A M Kuipers
In this paper, an efficient ghost-cell based immersed boundary method is applied to perform direct numerical simulation (DNS) of mass transfer problems in particle clusters. To be specific, a nine-sphere cuboid cluster and a random-generated spherical cluster consisting of 100 spheres are studied. In both cases, the cluster is composed of active catalysts and inert particles, and the mutual influence of particles on their mass transfer performance is studied. To simulate active catalysts the Dirichlet boundary condition is imposed at the external surface of spheres, while the zero-flux Neumann boundary condition is applied for inert particles...
April 4, 2018: Industrial & Engineering Chemistry Research
https://www.readbyqxmd.com/read/29606794/a-multistage-fluidized-bed-for-the-deep-removal-of-sour-gases-proof-of-concept-and-tray-efficiencies
#2
Rick T Driessen, Martin J Bos, Derk W F Brilman
Currently there are significant amounts of natural gas that cannot be produced and treated to meet pipeline specifications, because that would not be economically viable. This work investigates a bench scale multistage fluidized bed (MSFB) with shallow beds for sour gas removal from natural gas using a commercially available supported amine sorbent. A MSFB is regarded as a promising adsorber type for deep sour gas removal to parts per million concentrations. A series of experiments was conducted using carbon dioxide as sour gas and nitrogen to mimic natural gas...
March 21, 2018: Industrial & Engineering Chemistry Research
https://www.readbyqxmd.com/read/29568158/degradable-dendritic-polyols-on-a-branched-polyphosphazene-backbone
#3
Anne Linhardt, Michael König, Aitziber Iturmendi, Helena Henke, Oliver Brüggemann, Ian Teasdale
Herein, we present the design, synthesis, and characterization of fully degradable, hybrid, star-branched dendritic polyols. First multiarmed polyphosphazenes were prepared as a star-branched scaffold which upon functionalization produced globular branched hydroxyl-functionalized polymers with over 1700 peripheral functional end groups. These polyols with unique branched architectures could be prepared with controlled molecular weights and relatively narrow dispersities. Furthermore, the polymers are shown to undergo hydrolytic degradation to low molecular weight degradation products, the rate of which could be controlled through postpolymerization functionalization of the phosphazene backbone...
March 14, 2018: Industrial & Engineering Chemistry Research
https://www.readbyqxmd.com/read/29503503/effects-of-force-field-selection-on-the-computational-ranking-of-mofs-for-co-2-separations
#4
Derya Dokur, Seda Keskin
Metal-organic frameworks (MOFs) have been considered as highly promising materials for adsorption-based CO2 separations. The number of synthesized MOFs has been increasing very rapidly. High-throughput molecular simulations are very useful to screen large numbers of MOFs in order to identify the most promising adsorbents prior to extensive experimental studies. Results of molecular simulations depend on the force field used to define the interactions between gas molecules and MOFs. Choosing the appropriate force field for MOFs is essential to make reliable predictions about the materials' performance...
February 14, 2018: Industrial & Engineering Chemistry Research
https://www.readbyqxmd.com/read/29398779/process-intensification-of-enzymatic-fatty-acid-butyl-ester-synthesis-using-a-continuous-centrifugal-contactor-separator
#5
Miftahul Ilmi, Muhammad Y Abduh, Arne Hommes, Jozef G M Winkelman, Chusnul Hidayat, Hero J Heeres
Fatty acid butyl esters were synthesized from sunflower oil with 1-butanol using a homogeneous Rhizomucor miehei lipase in a biphasic organic (triglyceride, 1-butanol, hexane)- water (with enzyme) system in a continuous setup consisting of a cascade of a stirred tank reactor and a continuous centrifugal contactor separator (CCCS), the latter being used for integrated reaction and liquid-liquid separation. A fatty acid butyl ester yield up to 93% was obtained in the cascade when operated in a once-through mode...
January 17, 2018: Industrial & Engineering Chemistry Research
https://www.readbyqxmd.com/read/29170601/micromixing-in-a-rotor-stator-spinning-disc-reactor
#6
Arturo N Manzano Martínez, Kevin M P van Eeten, Jaap C Schouten, John van der Schaaf
This paper presents the micromixing times in a rotor-stator spinning disc reactor. Segregation indices are obtained at different rotational speeds performing the Villermaux-Dushman parallel-competitive reaction scheme. Consequently, the corresponding micromixing times are calculated using the engulfment model, while considering the self-engulfment effect. It was found that the segregation index decreases with an increasing disc speed. Furthermore, for the investigated operational conditions, the estimated micromixing times are in the range of 1...
November 15, 2017: Industrial & Engineering Chemistry Research
https://www.readbyqxmd.com/read/29170600/production-of-monosugars-from-lignocellulosic-biomass-in-molten-salt-hydrates-process-design-and-techno-economic-analysis
#7
Johan van den Bergh, Igor V Babich, Paul O'Connor, Jacob A Moulijn
ZnCl2 hydrate, the main molten salt used in biomass conversion, combined with low concentration HCl is an excellent solvent for the dissolution and hydrolysis of the carbohydrates present in lignocellulosic biomass. The most recalcitrant carbohydrate, cellulose, is dissolved in a residence time less than 1 h under mild conditions without significant degradation. This technology is referred to as BIOeCON-solvent technology. Separation of the sugars from the solution is the main challenge. The earlier conclusion regarding the potential of zeolite beta for selective adsorption has been used as the basis of a scale-up study...
November 15, 2017: Industrial & Engineering Chemistry Research
https://www.readbyqxmd.com/read/29170599/complexity-and-challenges-in-noncontact-high-temperature-measurements-in-microwave-assisted-catalytic-reactors
#8
Lalit S Gangurde, Guido S J Sturm, Tushar J Devadiga, Andrzej I Stankiewicz, Georgios D Stefanidis
The complexity and challenges in noncontact temperature measurements inside microwave-heated catalytic reactors are presented in this paper. A custom-designed microwave cavity has been used to focus the microwave field on the catalyst and enable monitoring of the temperature field in 2D. A methodology to study the temperature distribution in the catalytic bed by using a thermal camera in combination with a thermocouple for a heterogeneous catalytic reaction (methane dry reforming) under microwave heating has been demonstrated...
November 15, 2017: Industrial & Engineering Chemistry Research
https://www.readbyqxmd.com/read/29170598/experimental-and-kinetic-modeling-studies-on-the-conversion-of-sucrose-to-levulinic-acid-and-5-hydroxymethylfurfural-using-sulfuric-acid-in-water
#9
Jenny N M Tan-Soetedjo, Henk H van de Bovenkamp, Ria M Abdilla, Carolus B Rasrendra, Jacob van Ginkel, Hero J Heeres
We here report experimental and kinetic modeling studies on the conversion of sucrose to levulinic acid (LA) and 5-hydroxymethylfurfural (HMF) in water using sulfuric acid as the catalyst. Both compounds are versatile building blocks for the synthesis of various biobased (bulk) chemicals. A total of 24 experiments were performed in a temperature window of 80-180 °C, a sulfuric acid concentration between 0.005 and 0.5 M, and an initial sucrose concentration between 0.05 and 0.5 M. Glucose, fructose, and HMF were detected as the intermediate products...
November 15, 2017: Industrial & Engineering Chemistry Research
https://www.readbyqxmd.com/read/29142339/direct-air-capture-of-co-2-with-an-amine-resin-a-molecular-modeling-study-of-the-co-2-capturing-process
#10
Wim Buijs, Stijn de Flart
Several reactions, known from other amine systems for CO2 capture, have been proposed for Lewatit R VP OC 1065. The aim of this molecular modeling study is to elucidate the CO2 capture process: the physisorption process prior to the CO2 -capture and the reactions. Molecular modeling yields that the resin has a structure with benzyl amine groups on alternating positions in close vicinity of each other. Based on this structure, the preferred adsorption mode of CO2 and H2 O was established. Next, using standard Density Functional Theory two catalytic reactions responsible for the actual CO2 capture were identified: direct amine and amine-H2 O catalyzed formation of carbamic acid...
November 1, 2017: Industrial & Engineering Chemistry Research
https://www.readbyqxmd.com/read/28966440/combined-ceria-reduction-and-methane-reforming-in-a-solar-driven-particle-transport-reactor
#11
Michael Welte, Kent Warren, Jonathan R Scheffe, Aldo Steinfeld
We report on the experimental performance of a solar aerosol reactor for carrying out the combined thermochemical reduction of CeO2 and reforming of CH4 using concentrated radiation as the source of process heat. The 2 kWth solar reactor prototype utilizes a cavity receiver enclosing a vertical Al2O3 tube which contains a downward gravity-driven particle flow of ceria particles, either co-current or counter-current to a CH4 flow. Experimentation under a peak radiative flux of 2264 suns yielded methane conversions up to 89% at 1300 °C for residence times under 1 s...
September 20, 2017: Industrial & Engineering Chemistry Research
https://www.readbyqxmd.com/read/28890604/monitoring-of-batch-industrial-crystallization-with-growth-nucleation-and-agglomeration-part-2-structure-design-for-state-estimation-with-secondary-measurements
#12
Marcella Porru, Leyla Özkan
This work investigates the design of alternative monitoring tools based on state estimators for industrial crystallization systems with nucleation, growth, and agglomeration kinetics. The estimation problem is regarded as a structure design problem where the estimation model and the set of innovated states have to be chosen; the estimator is driven by the available measurements of secondary variables. On the basis of Robust Exponential estimability arguments, it is found that the concentration is distinguishable with temperature and solid fraction measurements while the crystal size distribution (CSD) is not...
August 30, 2017: Industrial & Engineering Chemistry Research
https://www.readbyqxmd.com/read/29187774/effect-of-superficial-gas-velocity-on-the-solid-temperature-distribution-in-gas-fluidized-beds-with-heat-production
#13
Mohammad Banaei, Jeroen Jegers, Martin van Sint Annaland, Johannes A M Kuipers, Niels G Deen
The hydrodynamics and heat transfer of cylindrical gas-solid fluidized beds for polyolefin production was investigated with the two-fluid model (TFM) based on the kinetic theory of granular flow (KTGF). It was found that the fluidized bed becomes more isothermal with increasing superficial gas velocity. This is mainly due to the increase of solids circulation and improvement in gas solid contact. It was also found that the average Nusselt number weakly depends on the gas velocity. The TFM results were qualitatively compared with simulation results of computational fluid dynamics combined with the discrete element model (CFD-DEM)...
August 2, 2017: Industrial & Engineering Chemistry Research
https://www.readbyqxmd.com/read/28572701/protease-sensitive-nanomaterials-for-cancer-therapeutics-and-imaging
#14
REVIEW
Caleb F Anderson, Honggang Cui
Many diseases can be characterized by the abnormal activity exhibited by various biomolecules, the targeting of which can provide therapeutic and diagnostic utility. Recent trends in medicine and nanotechnology have prompted the development of protease-sensitive nanomaterials systems for therapeutic, diagnostic, and theranostic applications. These systems can act specifically in response to the target enzyme and its associated disease conditions, thus enabling personalized treatment and improved prognosis. In this Review, we discuss recent advancements in the development of protease-responsive materials for imaging and drug delivery and analyze several representative systems to illustrate their key design principles...
May 24, 2017: Industrial & Engineering Chemistry Research
https://www.readbyqxmd.com/read/28553011/computational-fluid-dynamics-discrete-element-method-cfd-dem-study-of-mass-transfer-mechanisms-in-riser-flow
#15
Álvaro E Carlos Varas, E A J F Peters, J A M Kuipers
We report a computational fluid dynamics-discrete element method (CFD-DEM) simulation study on the interplay between mass transfer and a heterogeneous catalyzed chemical reaction in cocurrent gas-particle flows as encountered in risers. Slip velocity, axial gas dispersion, gas bypassing, and particle mixing phenomena have been evaluated under riser flow conditions to study the complex system behavior in detail. The most important factors are found to be directly related to particle cluster formation. Low air-to-solids flux ratios lead to more heterogeneous systems, where the cluster formation is more pronounced and mass transfer more influenced...
May 17, 2017: Industrial & Engineering Chemistry Research
https://www.readbyqxmd.com/read/28539701/adsorptive-water-removal-from-dichloromethane-and-vapor-phase-regeneration-of-a-molecular-sieve-3a-packed-bed
#16
Slaviša Jović, Yashasvi Laxminarayan, Jos Keurentjes, Jaap Schouten, John van der Schaaf
The drying of dichloromethane with a molecular sieve 3A packed bed process is modeled and experimentally verified. In the process, the dichloromethane is dried in the liquid phase and the adsorbent is regenerated by water desorption with dried dichloromethane product in the vapor phase. Adsorption equilibrium experiments show that dichloromethane does not compete with water adsorption, because of size exclusion; the pure water vapor isotherm from literature provides an accurate representation of the experiments...
May 3, 2017: Industrial & Engineering Chemistry Research
https://www.readbyqxmd.com/read/28405056/energy-efficient-routes-for-the-production-of-gasoline-from-biogas-and-pyrolysis-oil-process-design-and-life-cycle-assessment
#17
Smitha Sundaram, Gunther Kolb, Volker Hessel, Qi Wang
Two novel routes for the production of gasoline from pyrolysis oil (from timber pine) and biogas (from ley grass) are simulated, followed by a cradle-to-gate life-cycle assessment of the two production routes. The main aim of this work is to conduct a holistic evaluation of the proposed routes and benchmark them against the conventional route of producing gasoline from natural gas. A previously commercialized method of synthesizing gasoline involves conversion of natural gas to syngas, which is further converted to methanol, and then as a last step, the methanol is converted to gasoline...
March 29, 2017: Industrial & Engineering Chemistry Research
https://www.readbyqxmd.com/read/28405055/stability-of-a-benzyl-amine-based-co2-capture-adsorbent-in-view-of-regeneration-strategies
#18
Qian Yu, Jorge de la P Delgado, Rens Veneman, Derk W F Brilman
In this work, the chemical and thermal stability of a primary amine-functionalized ion-exchange resin (Lewatit VP OC 1065) is studied in view of the potential options of regenerating this sorbent in a CO2 removal application. The adsorbent was treated continuously in the presence of air, different O2/CO2/N2 mixtures, concentrated CO2, and steam, and then the remaining CO2 adsorption capacity was measured. Elemental analysis, BET/BJH analysis, Fourier transform infrared spectroscopy, and thermogravimetric analysis were applied to characterize adsorbent properties...
March 29, 2017: Industrial & Engineering Chemistry Research
https://www.readbyqxmd.com/read/28413256/dynamics-of-postcombustion-co2-capture-plants-modeling-validation-and-case-study
#19
Adam van de Haar, Carsten Trapp, Kai Wellner, Robert de Kler, Gerhard Schmitz, Piero Colonna
The capture of CO2 from power plant flue gases provides an opportunity to mitigate emissions that are harmful to the global climate. While the process of CO2 capture using an aqueous amine solution is well-known from experience in other technical sectors (e.g., acid gas removal in the gas processing industry), its operation combined with a power plant still needs investigation because in this case, the interaction with power plants that are increasingly operated dynamically poses control challenges. This article presents the dynamic modeling of CO2 capture plants followed by a detailed validation using transient measurements recorded from the pilot plant operated at the Maasvlakte power station in the Netherlands...
February 22, 2017: Industrial & Engineering Chemistry Research
https://www.readbyqxmd.com/read/28539700/hydrothermal-oxidation-of-fecal-sludge-experimental-investigations-and-kinetic-modeling
#20
Tobias Hübner, Markus Roth, Frédéric Vogel
Hydrothermal oxidation (HTO) provides an efficient technique to completely destroy wet organic wastes. In this study, HTO was applied to treat fecal sludge at well-defined experimental conditions. Four different kinetic models were adjusted to the obtained data. Among others, a distributed activation energy model (DAEM) was applied. A total of 33 experiments were carried out in an unstirred batch reactor with pressurized air as the oxidant at temperatures of <470 °C, oxygen-to-fuel equivalence ratios between 0 and 1...
November 23, 2016: Industrial & Engineering Chemistry Research
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