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Reaction Pathways and Microkinetic Modeling of n-Butane Oxidation to 1-Butanol on Cu, Cu3Pd, Pd, Ag3Pd, and PdZn (111) Surfaces
10.1021/acs.iecr.8b00589 2018-04-16 Density functional theory (DFT) calculations and microkinetic modeling are used to model reactions in the oxidation of n-butane to 1-butanol, 1-butanal, and 1-butene over pure metal and metal alloy (111) surfaces. Specifically, catalytic thermodynamic and kin... |
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Vapor Pressure and Heat of Vaporization of Molecules That Associate in the Gas Phase
10.1021/acs.iecr.7b04241 2018-04-16 A model of the temperature dependence of the vapor pressure and the heat of vaporization of liquids whose vapors contain associates is presented for two cases: dimers and linear associates in the gas phase. The results are analytic generalizations of the Clau... |
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Dual SIMC-PI Controller Design for Cascade Implement of Input Resetting Control with Application
10.1021/acs.iecr.7b05047 2018-04-13 Input resetting control (IRC) is an economical and effective approach to achieve good closed-loop behavior for systems with extra inputs. The paper investigates use of the cascade IRC implementation in the two-input-single-output (TISO) case. The SIMC method ... |
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Adsorption of Contaminants of Emerging Concern from Aqueous Solutions using Cu2+ Amino Grafted SBA-15 Mesoporous Silica: Multi-Component and Metabolites Adsorption
10.1021/acs.iecr.7b05168 2018-04-13 SBA-15 and Cu2+ amino grafted SBA-15 adsorbents (CuNH2_g_SBA-15) were prepared to investigate the equilibrium and dynamic adsorptive removal of a set of contaminants of emerging concern (CECs; carbamazepine, caffeine, clofibric acid, salicylic acid, and napro... |
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Feasibility evaluation of a novel middle vapor recompression distillation column
10.1021/acs.iecr.8b00038 2018-04-13 Internal heat integrated technology was developed to improve the thermodynamic efficiency of distillation columns to save energy and increase profit. A novel internal heat integrated distillation column, middle vapor recompression distillation column (MVRC) w... |
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A Novel Continuous Multiphase Reactor For Chemically Processing Polymer Fibers
10.1021/acs.iecr.8b00482 2018-04-13 Chemical reactions on the surface or throughout a thermoplastic fiber present an interesting and challenging reaction engineering problem. This paper presents the design and implementation of a modular multiphase continuous stirred tank reactor for the sulfon... |
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Nanoclay-based PVA aerogels: synthesis and characterization
10.1021/acs.iecr.8b00385 2018-04-13 Nanoclay-based PVA aerogels have been synthesised at pilot plant scale using an environmentally friendly freeze-drying method. In the present work, the influence of different kind of nanoclays on the physical, mechanical and thermal properties of the resulted... |
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Higher Alcohols Synthesis over Carbon Nanohorn-Supported KCoRhMo Catalyst: Pelletization and Kinetic Modeling
10.1021/acs.iecr.7b03760 2018-04-13 In this study, two catalyst grain sizes (fine powders and pellets) have been investigated to elucidate the effects of both external and internal mass transfer diffusion as well as particle size during the CO hydrogenation reaction to produce higher alcohols. ... |
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Evaluation of Microstructural Changes and Performance Degradation in Iron-Based Oxygen Carriers during Redox Cycling for Chemical Looping Systems with Image Analysis
10.1021/acs.iecr.7b04966 2018-04-13 A coupled analysis of the reaction kinetics and microstructural changes of Fe2O3/Al2O3 oxygen carriers during redox reaction cycles for chemical looping systems was conducted. The microstructural changes in the oxygen carrier particles were investigated using... |
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Characterization of Oxidation States in Metal/Metal Oxide Catalysts in Liquid-Phase Hydrodeoxygenation Reactions with a Trickle Bed Reactor
10.1021/acs.iecr.8b00797 2018-04-13 Bifunctional hydrodeoxygenation catalysts containing both metal and metal oxide phases are widely employed in biomass upgrading reactions. Determining the oxidation state of metals in such complex reaction media has been challenging. In this work, we develope... |