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Journals Industrial & Engineering Chemi...

Industrial & Engineering Chemistry Research

https://read.qxmd.com/read/38525291/model-based-design-of-experiments-for-temporal-analysis-of-products-tap-a-simulated-case-study-in-oxidative-propane-dehydrogenation
#1
JOURNAL ARTICLE
Adam Yonge, Gabriel S Gusmão, Rebecca Fushimi, Andrew J Medford
Temporal analysis of products (TAP) reactors enable experiments that probe numerous kinetic processes within a single set of experimental data through variations in pulse intensity, delay, or temperature. Selecting additional TAP experiments often involves an arbitrary selection of reaction conditions or the use of chemical intuition. To make experiment selection in TAP more robust, we explore the efficacy of model-based design of experiments (MBDoE) for precision in TAP reactor kinetic modeling. We successfully applied this approach to a case study of synthetic oxidative propane dehydrogenation (OPDH) that involves pulses of propane and oxygen...
March 20, 2024: Industrial & Engineering Chemistry Research
https://read.qxmd.com/read/38525290/experimental-scale-up-and-technoeconomic-assessment-of-low-grade-glycerol-purification-from-waste-based-biorefinery
#2
JOURNAL ARTICLE
Taha Attarbachi, Martin Kingsley, Vincenzo Spallina
The purification of waste-derived crude glycerol to the 2000 g scale is presented to provide a consolidated proof of concept. Starting from unprecedented low-quality glycerol from a second-generation biodiesel plant, currently disposed of at cost, a series of physiochemical steps are implemented to improve glycerol purity and recovery under relevant conditions. The study is carried out on two samples with initial purities of 38-57 wt % and ash contents of up to 16 wt %. Under the optimal process conditions, glycerol exhibits a remarkable increase to 85 wt % purity while preserving the overall glycerol recovery of the process of up to 71%...
March 20, 2024: Industrial & Engineering Chemistry Research
https://read.qxmd.com/read/38525289/dense-oil-in-water-emulsions-using-vortex-based-hydrodynamic-cavitation-effective-viscosity-sauter-mean-diameter-and-droplet-size-distribution
#3
JOURNAL ARTICLE
Mukesh Upadhyay, Akshay Ravi, Vivek V Ranade
Vortex-based hydrodynamic cavitation offers an effective platform for producing emulsions. In this work, we have investigated characteristics of dense oil in water emulsions with oil volume fractions up to 60% produced using a vortex-based cavitation device. Emulsions were prepared using rapeseed oil with oil volume fractions of 0.15, 0.3, 0.45, and 0.6. For each of these volume fractions, the pressure drop as a function of the flow rate of emulsions through the cavitation device was measured. These data were used for estimating the effective viscosity of the emulsions...
March 20, 2024: Industrial & Engineering Chemistry Research
https://read.qxmd.com/read/38404741/promotion-of-cobalt-oxide-catalysts-by-acid-etching-and-ruthenium-incorporation-for-chlorinated-voc-oxidation
#4
JOURNAL ARTICLE
Amaya Gil-Barbarin, José Ignacio Gutiérrez-Ortiz, Rubén López-Fonseca, Beatriz de Rivas
In this work, Ru-promoted cobalt oxide catalysts with a nanotube morphology were prepared by a synthesis route based on the Kirkendall effect followed by an acid treatment and subsequent optimized Ru impregnation. The resulting samples were thoroughly characterized by means of N2 physisorption, X-ray energy-dispersive spectroscopy, X-ray diffraction, scanning electron microscopy techniques, X-ray photoelectron spectroscopy, and temperature-programmed techniques (O2 -temperature-programmed desorption, H2 -temperature-programmed reduction, and temperature-programmed oxidation) and evaluated in the gas-phase oxidation of 1,2-dichloroethane...
February 21, 2024: Industrial & Engineering Chemistry Research
https://read.qxmd.com/read/38250710/indirect-electrochemical-cooling-model-based-performance-analysis-and-working-fluid-selection
#5
JOURNAL ARTICLE
Lana Liebl, André Bardow, Dennis Roskosch
The rising energy demand for cooling and heating requires efficient and sustainable technologies. Vapor-compression systems represent the state of the art but suffer from downscaling limits and maintenance needs. These disadvantages may be overcome by recently proposed electrochemical processes. However, their potential has not been explored systematically. This work quantifies the thermodynamic potential of an indirect electrochemical cooling process that replaces the vapor compressor of a standard refrigeration cycle with an electrochemical cell...
January 17, 2024: Industrial & Engineering Chemistry Research
https://read.qxmd.com/read/38223501/a-multistep-multicomponent-extraction-and-separation-microfluidic-route-to-recycle-water-miscible-ionic-liquid-solvents
#6
JOURNAL ARTICLE
Bin Pan, Lanja R Karadaghi, Richard L Brutchey, Noah Malmstadt
Recycling ionic liquid (IL) solvents can reduce the lifecycle cost of these expensive solvents. Liquid-liquid extraction is the most straightforward approach to purify IL solvents and is typically performed with an immiscible washing agent (e.g., water). Herein, we describe a recycling route for water-miscible ILs in which direct recycling is usually challenging. We use hydrophobic ILs as accommodating agents to draw the water-miscible IL from the aqueous washing stream. A biphasic slug flow of the mixed ILs and water is then separated by using a membrane...
January 10, 2024: Industrial & Engineering Chemistry Research
https://read.qxmd.com/read/38223500/accelerated-discovery-of-metal-organic-frameworks-for-co-2-capture-by-artificial-intelligence
#7
REVIEW
Hasan Can Gulbalkan, Gokhan Onder Aksu, Goktug Ercakir, Seda Keskin
The existence of a very large number of porous materials is a great opportunity to develop innovative technologies for carbon dioxide (CO2 ) capture to address the climate change problem. On the other hand, identifying the most promising adsorbent and membrane candidates using iterative experimental testing and brute-force computer simulations is very challenging due to the enormous number and variety of porous materials. Artificial intelligence (AI) has recently been integrated into molecular modeling of porous materials, specifically metal-organic frameworks (MOFs), to accelerate the design and discovery of high-performing adsorbents and membranes for CO2 adsorption and separation...
January 10, 2024: Industrial & Engineering Chemistry Research
https://read.qxmd.com/read/38223499/design-and-multiobjective-dynamic-optimization-of-superheaters-for-load-following-operation-in-pulverized-coal-power-plants
#8
JOURNAL ARTICLE
Quang Minh Le, Jinliang Ma, Debangsu Bhattacharyya, Stephen E Zitney, Anthony P Burgard
Pulverized coal power plants are increasingly participating in aggressive load-following markets, therefore necessitating the design and optimization of primary superheaters for flexible operations. These superheaters play a critical role in maintaining the final steam temperature of the steam turbine, but their high operating temperatures and pressures make them prone to failure. This study focuses on the optimal design of future-generation primary superheaters for a fast load-following operation. To achieve this, a detailed first-principles model of a primary superheater is developed along with submodels for stress and fatigue damage...
January 10, 2024: Industrial & Engineering Chemistry Research
https://read.qxmd.com/read/38223498/effect-of-solution-stoichiometry-on-baso-4-crystallization-from-turbidity-measurements-and-modeling
#9
JOURNAL ARTICLE
V F D Peters, A Baken, S Y M H Seepma, J A Koskamp, A Fernández-Martínez, A E S van Driessche, M Wolthers
The impact of solution stoichiometry on the nucleation and growth of BaSO4 was studied by measuring solution transmittance and subsequent fitting to a crystallization model. Our results show that a large excess of either Ba2+ or SO4 2- ions inhibits both the nucleation and growth of BaSO4 . However, for a small excess of Ba2+ , the growth is enhanced. The dependence of nucleation and growth rates on supersaturation and solution stoichiometry was captured by a semiempirical rate model. Hence, the solution stoichiometry is a highly relevant parameter while studying all aspects of BaSO4 crystallization, and it could be worthwhile to examine other minerals similarly...
January 10, 2024: Industrial & Engineering Chemistry Research
https://read.qxmd.com/read/38107750/nuclear-cogeneration-of-methanol-and-acetaldehyde-from-ethylene-glycol-using-ionizing-radiation
#10
JOURNAL ARTICLE
Arran George Plant, Bor Kos, Anže Jazbec, Luka Snoj, Malcolm John Joyce, Vesna Najdanovic-Visak
Despite offering low-carbon and reliable energy, the utilization of nuclear energy is declining globally due to high upfront capital costs and longer returns on investments. Nuclear cogeneration of valuable chemicals from waste biomass-derived feedstocks could have beneficial impacts while harnessing the underutilized resource of ionizing energy. Here, we demonstrate selective methanol or acetaldehyde production from ethylene glycol, a feedstock derived from glycerol, a byproduct of biodiesel, using irradiations from a nuclear fission reactor...
December 13, 2023: Industrial & Engineering Chemistry Research
https://read.qxmd.com/read/38107749/unraveling-the-potential-of-electrochemical-ph-swing-processes-for-carbon-dioxide-capture-and-utilization
#11
REVIEW
Thanh Ngoc-Dan Cao, Seth W Snyder, Yu-I Lin, Yupo J Lin, Suraj Negi, Shu-Yuan Pan
Global warming, driven by the accumulation of anthropogenic greenhouse gases, particularly CO2 , in the atmosphere, has garnered significant attention due to its detrimental environmental impacts. To combat this critical issue, the deployment of CO2 capture and utilization (CCU) strategies has been considered as one of the technology-based solutions, leading to extensive scientific and engineering research. Electrochemical pH-swing (EPS) processes offer a promising approach to diverse CCU pathways, such as the delivery of pure CO2 gas, the delivery of bicarbonate (e...
December 13, 2023: Industrial & Engineering Chemistry Research
https://read.qxmd.com/read/38074519/cfd-dem-fluidized-bed-drying-study-using-a-coarse-graining-technique
#12
JOURNAL ARTICLE
M J A de Munck, E A J F Peters, J A M Kuipers
Fluidized beds are commonly applied to industrial drying applications. Modeling using the computational fluid dynamics-discrete element method (CFD-DEM) can be employed to increase the fundamental understanding of solids drying. A large drawback of CFD-DEM is the computational requirements, leading to a limitation regarding the system size. Coarse-grained CFD-DEM is an approach to reduce computational costs, allowing one to simulate larger fluidized beds. In this article, coarse-graining CFD-DEM scaling laws are used for fluidized bed solids drying...
December 6, 2023: Industrial & Engineering Chemistry Research
https://read.qxmd.com/read/38045734/nature-of-a-tetrabutylammonium-chloride-levulinic-acid-deep-eutectic-solvent
#13
JOURNAL ARTICLE
Alberto Gutiérrez, Sara Rozas Azcona, Lorena Zamora Pastor, Cristina Benito, Mert Atilhan, Santiago Aparicio
A deep eutectic solvent was formed by considering the mixtures of tetrabutylammonium chloride and levulinic acid, and it is studied via a combined theoretical and experimental approach. Physicochemical properties were measured as a function of temperature, providing a macroscopic characterization of the fluid. Quantum chemistry and classical molecular dynamics simulations were carried out for the nanoscopic characterization, providing attention to the nature, extension, and dynamics of the hydrogen bonding network, which is at the root of the properties of the fluid...
November 29, 2023: Industrial & Engineering Chemistry Research
https://read.qxmd.com/read/38045733/shape-stabilized-pegylated-silica-aerogel-composite-as-an-energy-saving-building-material
#14
JOURNAL ARTICLE
Adeel Arshad, Anurag Roy, Tapas K Mallick, Asif Ali Tahir
Balancing thermal and visual comfort in buildings necessitates effective insulation to counteract heat loss and gain, especially with temperature variances. One promising approach is to combine phase change materials, such as poly(ethylene glycol) (PEG), with high-performance insulators like silica aerogel (Siag ). To bolster opto-thermal performance in building envelopes, we introduce a smart insulation composite material through PEG integration, i.e., PEGalyation with Siag . Central to this thermal behavior is the PEG's phase change properties, which foster a shape-stabilized framework with Siag through their porous confinement...
November 29, 2023: Industrial & Engineering Chemistry Research
https://read.qxmd.com/read/38357381/a-comparison-of-dilute-aqueous-isethionic-acid-and-sulfuric-acid-in-hydrolysis-of-three-different-untreated-lignocellulosic-biomass-varieties
#15
JOURNAL ARTICLE
Ananda S Amarasekara, Victor C Nwankwo
Efficient catalytic hydrolysis of lignocellulosic biomass to sugars is a major challenge in the production of sustainable biofuels and chemical feedstocks. In this study isethionic acid was compared with H2 SO4 for hydrolysis of polysaccharides in corn stover, switch grass, and poplar. The catalytic activities of acids were compared by analysis of total reducing sugar (TRS) and glucose yields in a sequence of experiments in water at 90-190 °C using 0.050 mol of H+ /L isethionic acid and H2 SO4 . In comparison to using H2 SO4 , the use of isethionic acid catalyst lowered the maximum TRS percent yield temperatures by 25, 24, and 21% for corn stover, switch grass, and poplar...
November 22, 2023: Industrial & Engineering Chemistry Research
https://read.qxmd.com/read/38037624/hop-skip-and-jump-hydrogen-molecular-transport-through-amorphous-polyethylene-matrices-studied-via-molecular-dynamics-simulations
#16
JOURNAL ARTICLE
Candice Divine-Ayela, Felipe Perez, Alberto Striolo
In the pursuit of advancing and diversifying energy technologies for a more sustainable future, the possibilities of hydrogen (H2 ) usage will broaden, as will our understanding of its containment materials. Polyethylene (PE) has a vast assortment of uses and applications, which are growing with demands for alternative energy possibilities. One use of PE liner is as a prime candidate for nonmetallic piping and pressurized type IV storage devices. Such applications require PE to effectively prevent H2 transport through containment systems...
November 22, 2023: Industrial & Engineering Chemistry Research
https://read.qxmd.com/read/38037623/techno-economic-analysis-and-optimization-of-intensified-large-scale-hydrogen-production-with-membrane-reactors
#17
JOURNAL ARTICLE
Dean M Sweeney, Victor Alves, Savannah Sakhai, San Dinh, Fernando V Lima
Steam methane reforming (SMR) currently supplies 76% of the world's hydrogen (H2 ) demand, totaling ∼70 million tonnes per year. Developments in H2 production technologies are required to meet the rising demand for cleaner, less costly H2 . Therefore, palladium membrane reactors (Pd-MR) have received significant attention for their ability to increase the efficiency of traditional SMR. This study performs novel economic analyses and constrained, nonlinear optimizations on an intensified SMR process with a Pd-MR...
November 22, 2023: Industrial & Engineering Chemistry Research
https://read.qxmd.com/read/38037622/discrete-modeling-approach-for-cluster-based-excess-gibbs-energy-of-molecular-liquids
#18
JOURNAL ARTICLE
Christoph Mayer, Thomas Wallek
The excess Gibbs-energy of a two-component liquid molecular mixture is modeled based on discrete clusters of molecules. These clusters preserve the three-dimensional geometric information about local molecule neighborhoods that inform the interaction energies of the clusters. In terms of a discrete Markov-chain, the clusters are used to hypothetically construct the mixture using sequential insertion steps. Each insertion step and, therefore, cluster is assigned a probability of occurring in an equilibrium system that is determined via the constrained minimization of the Helmholtz free energy...
November 22, 2023: Industrial & Engineering Chemistry Research
https://read.qxmd.com/read/38037621/unraveling-temperature-dependent-plasma-catalyzed-co-2-hydrogenation
#19
JOURNAL ARTICLE
Yuxuan Zeng, Guoxing Chen, Bowen Liu, Hao Zhang, Xin Tu
Hydrogenation of carbon dioxide to value-added chemicals and fuels has recently gained increasing attention as a promising route for utilizing carbon dioxide to achieve a sustainable society. In this study, we investigated the hydrogenation of CO2 over M/SiO2 and M/Al2 O3 (M = Co, Ni) catalysts in a dielectric barrier discharge system at different temperatures. We compared three different reaction modes: plasma alone, thermal catalysis, and plasma catalysis. The coupling of catalysts with plasma demonstrated synergy at different reaction temperatures, surpassing the thermal catalysis and plasma alone modes...
November 22, 2023: Industrial & Engineering Chemistry Research
https://read.qxmd.com/read/38037620/modeling-the-drying-process-of-porous-catalysts-impact-of-the-pore-size-distribution
#20
JOURNAL ARTICLE
David R Rieder, Elias A J F Peters, Johannes A M Kuipers
The distribution of catalytically active species in heterogeneous porous catalysts strongly influences their performance and durability in industrial reactors. A drying model for investigating this redistribution was developed and implemented using the finite volume method. This model embeds an analytical approach regarding the permeability and capillary pressure from arbitrary pore size distributions. Subsequently, a set of varying pore size distributions are investigated, and their impact on the species redistribution during drying is quantified...
November 22, 2023: Industrial & Engineering Chemistry Research
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