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Processes, Volume 4, Issue 2 (June 2016) – 12 articles

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3264 KiB  
Review
A Review of Dynamic Models of Hot-Melt Extrusion
by Jonathan Grimard, Laurent Dewasme and Alain Vande Wouwer
Processes 2016, 4(2), 19; https://0-doi-org.brum.beds.ac.uk/10.3390/pr4020019 - 06 Jun 2016
Cited by 19 | Viewed by 8319
Abstract
Hot-melt extrusion is commonly applied for forming products, ranging from metals to plastics, rubber and clay composites. It is also increasingly used for the production of pharmaceuticals, such as granules, pellets and tablets. In this context, mathematical modeling plays an important role to [...] Read more.
Hot-melt extrusion is commonly applied for forming products, ranging from metals to plastics, rubber and clay composites. It is also increasingly used for the production of pharmaceuticals, such as granules, pellets and tablets. In this context, mathematical modeling plays an important role to determine the best process operating conditions, but also to possibly develop software sensors or controllers. The early models were essentially black-box and relied on the measurement of the residence time distribution. Current models involve mass, energy and momentum balances and consists of (partial) differential equations. This paper presents a literature review of a range of existing models. A common case study is considered to illustrate the predictive capability of the main candidate models, programmed in a simulation environment (e.g., MATLAB). Finally, a comprehensive distributed parameter model capturing the main phenomena is proposed. Full article
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1950 KiB  
Article
Effects of Catalysts and Membranes on the Performance of Membrane Reactors in Steam Reforming of Ethanol at Moderate Temperature
by Manabu Miyamoto, Yuki Yoshikawa, Yasunori Oumi, Shin-ichi Yamaura and Shigeyuki Uemiya
Processes 2016, 4(2), 18; https://0-doi-org.brum.beds.ac.uk/10.3390/pr4020018 - 03 Jun 2016
Cited by 2 | Viewed by 5666
Abstract
Steam reforming of ethanol in the membrane reactor using the Pd77Ag23 membrane was evaluated in Ni/CeO2 and Co/CeO2 at atmospheric pressure. At 673 K, the H2 yield in the Pd77Ag23 membrane reactor over Co/CeO [...] Read more.
Steam reforming of ethanol in the membrane reactor using the Pd77Ag23 membrane was evaluated in Ni/CeO2 and Co/CeO2 at atmospheric pressure. At 673 K, the H2 yield in the Pd77Ag23 membrane reactor over Co/CeO2 was found to be higher than that over Ni/CeO2, although the H2 yield over Ni/CeO2 exceeded that over Co/CeO2 at 773 K. This difference was owing to their reaction mechanism. At 773 K, the effect of H2 removal could be understood as the equilibrium shift. In contrast, the H2 removal kinetically inhibited the reverse methane steam reforming at low temperature. Thus, the low methane-forming reaction rate of Co/CeO2 was favorable at 673 K. The addition of a trace amount of Ru increased the H2 yield effectively in the membrane reactor, indicating that a reverse H2 spill over mechanism of Ru would enhance the kinetical effect of H2 separation. Finally, the effect of membrane performance on the reactor performance by using amorphous alloy membranes with different compositions was evaluated. The H2 yield was set in the order of H2 permeation flux regardless of the membrane composition. Full article
(This article belongs to the Special Issue Membrane Separation Processes)
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2151 KiB  
Review
Extending Emulsion Functionality: Post-Homogenization Modification of Droplet Properties
by Long Bai and David Julian McClements
Processes 2016, 4(2), 17; https://0-doi-org.brum.beds.ac.uk/10.3390/pr4020017 - 17 May 2016
Cited by 21 | Viewed by 16813
Abstract
Homogenizers are commonly used to produce oil-in-water emulsions that consist of emulsifier-coated oil droplets suspended within an aqueous phase. The functional attributes of emulsions are usually controlled by selecting appropriate ingredients (e.g., surfactants, co-surfactants, oils, solvents, and co-solvents) and processing conditions (e.g., homogenizer [...] Read more.
Homogenizers are commonly used to produce oil-in-water emulsions that consist of emulsifier-coated oil droplets suspended within an aqueous phase. The functional attributes of emulsions are usually controlled by selecting appropriate ingredients (e.g., surfactants, co-surfactants, oils, solvents, and co-solvents) and processing conditions (e.g., homogenizer type and operating conditions). However, the functional attributes of emulsions can also be tailored after homogenization by manipulating their composition, structure, or physical state. The interfacial properties of lipid droplets can be altered using competitive adsorption or coating methods (such as electrostatic deposition). The physical state of oil droplets can be altered by selecting an oil phase that crystallizes after the emulsion has been formed. The composition of the disperse phase can be altered by mixing different kinds of oil droplets together to induce inter-droplet exchange of oil molecules. The local environment of oil droplets can be altered by embedding them within hydrogel beads. The aggregation state of oil droplets can be controlled by promoting flocculation. These post-homogenization methods can be used to alter functional attributes such as physical stability, rheology, optical properties, chemical degradation, retention/release properties, and/or gastrointestinal fate. Full article
(This article belongs to the Special Issue Emulsification Processes)
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14859 KiB  
Project Report
Process Intensification via Membrane Reactors, the DEMCAMER Project
by Fausto Gallucci, Jose Antonio Medrano, Leonardo Roses, Adele Brunetti, Giuseppe Barbieri and Jose Luis Viviente
Processes 2016, 4(2), 16; https://0-doi-org.brum.beds.ac.uk/10.3390/pr4020016 - 11 May 2016
Cited by 11 | Viewed by 7306
Abstract
This paper reports the findings of a FP7 project (DEMCAMER) that developed materials (catalysts and membranes) and new processes for four industrially relevant reaction processes. In this project, active, stable, and selective catalysts were developed for the reaction systems of interest and their [...] Read more.
This paper reports the findings of a FP7 project (DEMCAMER) that developed materials (catalysts and membranes) and new processes for four industrially relevant reaction processes. In this project, active, stable, and selective catalysts were developed for the reaction systems of interest and their production scaled up to kg scale (TRL5 (TRL: Technology Readiness Level)). Simultaneously, new membranes for gas separation were developed; in particular, dense supported thin palladium-based membranes for hydrogen separation from reactive mixtures. These membranes were successfully scaled up to TRL4 and used in various lab-scale reactors for water gas shift (WGS), using both packed bed and fluidized bed reactors, and Fischer-Tropsch (FTS) using packed bed reactors and in prototype reactors for WGS and FTS. Mixed ionic-electronic conducting membranes in capillary form were also developed for high temperature oxygen separation from air. These membranes can be used for both Autothermal Reforming (ATR) and Oxidative Coupling of Methane (OCM) reaction systems to increase the efficiency and the yield of the processes. The production of these membranes was scaled up to TRL3–4. The project also developed adequate sealing techniques to be able to integrate the different membranes in lab-scale and prototype reactors. Full article
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1593 KiB  
Article
Study of n-Butyl Acrylate Self-Initiation Reaction Experimentally and via Macroscopic Mechanistic Modeling
by Ahmad Arabi Shamsabadi, Nazanin Moghadam, Sriraj Srinivasan, Patrick Corcoran, Michael C. Grady, Andrew M. Rappe and Masoud Soroush
Processes 2016, 4(2), 15; https://0-doi-org.brum.beds.ac.uk/10.3390/pr4020015 - 23 Apr 2016
Cited by 14 | Viewed by 5836 | Correction
Abstract
This paper presents an experimental study of the self-initiation reaction of n-butyl acrylate (n-BA) in free-radical polymerization. For the first time, the frequency factor and activation energy of the monomer self-initiation reaction are estimated from measurements of n-BA conversion [...] Read more.
This paper presents an experimental study of the self-initiation reaction of n-butyl acrylate (n-BA) in free-radical polymerization. For the first time, the frequency factor and activation energy of the monomer self-initiation reaction are estimated from measurements of n-BA conversion in free-radical homo-polymerization initiated only by the monomer. The estimation was carried out using a macroscopic mechanistic mathematical model of the reactor. In addition to already-known reactions that contribute to the polymerization, the model considers a n-BA self-initiation reaction mechanism that is based on our previous electronic-level first-principles theoretical study of the self-initiation reaction. Reaction rate equations are derived using the method of moments. The reaction-rate parameter estimates obtained from conversion measurements agree well with estimates obtained via our purely-theoretical quantum chemical calculations. Full article
(This article belongs to the Special Issue Polymer Modeling, Control and Monitoring)
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1628 KiB  
Article
An Experimental Investigation to Facilitate an Improvement in the Design of an Electromagnetic Continuous Casting Mould
by Lintao Zhang, Anyuan Deng, Engang Wang and Johann Sienz
Processes 2016, 4(2), 14; https://0-doi-org.brum.beds.ac.uk/10.3390/pr4020014 - 14 Apr 2016
Cited by 2 | Viewed by 5354
Abstract
An electromagnetic continuous casting mould designed is proposed with a non-uniform slit distribution structure. This design has aimed to reduce the number of slits so that the mould’s strength is enhanced, whilst maintaining a similar metallurgy effect. In this paper, the metallurgy effect [...] Read more.
An electromagnetic continuous casting mould designed is proposed with a non-uniform slit distribution structure. This design has aimed to reduce the number of slits so that the mould’s strength is enhanced, whilst maintaining a similar metallurgy effect. In this paper, the metallurgy effect for the designed mould is investigated through the magnetic field distribution along the casting direction, the uniformity feature in the vicinity of the meniscus region, the temperature variation of the molten alloy pool and the mould wall. The results show that the designed mould achieved a similar effect as compared to the original mould; however, the configuration is simplified. This research highlights the topic of mould structure optimization, which would enable the Electromagnetic continuous casting (EMCC) technique to be utilized with greater ease by industry. Full article
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2306 KiB  
Article
Mechanism of Acetyl Salicylic Acid (Aspirin) Degradation under Solar Light in Presence of a TiO2-Polymeric Film Photocatalyst
by Debjani Mukherjee, Ajay K. Ray and Shahzad Barghi
Processes 2016, 4(2), 13; https://0-doi-org.brum.beds.ac.uk/10.3390/pr4020013 - 14 Apr 2016
Cited by 35 | Viewed by 13144
Abstract
Application of titanium dioxide (TiO2) as a photocatalyst has presented a promising avenue for the safe photocatalytic degradation of pollutants. Increasing levels of the release of pharmaceuticals in the environment and formation of the intermediates during their degradation may impose health [...] Read more.
Application of titanium dioxide (TiO2) as a photocatalyst has presented a promising avenue for the safe photocatalytic degradation of pollutants. Increasing levels of the release of pharmaceuticals in the environment and formation of the intermediates during their degradation may impose health and environmental risks and therefore require more attention. Photocatalytic degradation of acetylsalicylic acid (aspirin) was carried out in the presence of the TiO2-filled polymeric film as a photocatalyst under solar light irradiation. The polymeric film incorporates TiO2 in the matrix, which acts as a photocatalyst under solar illumination and degrades the acetyl salicylic acid (ASA) into a range of organic compounds before complete demineralization (formation of carbon dioxide and water as final products). Among the intermediates, acetic acid was found to be present in a larger amount compared to other organic acids. The qualitative/quantitative analyses of the intermediates resulted in the determination of the most probable reaction’s mechanism in the degradation process. The mechanism of degradation of acetylsalicylic acid and its reaction pathway were developed from liquid chromatography/mass spectroscopy (LC/MS), Fourier Transform Infra Red (FTIR) and UV spectrophotometric analysis. It was found that hydroxyl groups were dominant in the degradation process compared to electrons and holes generated by TiO2. The total organic carbon (TOC) analysis was also carried out to analyze the organic carbon content of the intermediates formed during the course of degradation. Full article
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145 KiB  
Correction
Correction: Sarah Jasper and Mahmoud M. El-Halwagi A Techno-Economic Comparison between Two Methanol-to-Propylene Processes Processes 2015, 3, 684–698
by Sarah Jasper and Mahmoud M. El-Halwagi
Processes 2016, 4(2), 11; https://0-doi-org.brum.beds.ac.uk/10.3390/pr4020011 - 13 Apr 2016
Viewed by 3969
Abstract
The authors wish to correct Table A1 of the published paper in Processes [1].[...] Full article
(This article belongs to the Special Issue Sustainable Products and Processes)
475 KiB  
Article
Measurable Disturbances Compensation: Analysis and Tuning of Feedforward Techniques for Dead-Time Processes
by Andrzej Pawlowski, Carlos Rodríguez, José Luis Guzmán, Manuel Berenguel and Sebastián Dormido
Processes 2016, 4(2), 12; https://0-doi-org.brum.beds.ac.uk/10.3390/pr4020012 - 12 Apr 2016
Cited by 7 | Viewed by 5957
Abstract
In this paper, measurable disturbance compensation techniques are analyzed, focusing the problem on the input-output and disturbance-output time delays. The feedforward compensation method is evaluated for the common structures that appear between the disturbance and process dynamics. Due to the presence of time [...] Read more.
In this paper, measurable disturbance compensation techniques are analyzed, focusing the problem on the input-output and disturbance-output time delays. The feedforward compensation method is evaluated for the common structures that appear between the disturbance and process dynamics. Due to the presence of time delays, the study includes causality and instability phenomena that can arise when a classical approach for disturbance compensation is used. Different feedforward configurations are analyzed for two feedback control techniques, PID (Proportional-Integral-Derivative) and MPC (Model Predictive Control) that are widely used for industrial process-control applications. The specific tuning methodology for the analyzed process structure is used to obtain improved disturbance rejection performance regarding classical approaches. The evaluation of the introduced disturbance rejection schemes is performed through simulation, considering process constraints in order to highlight the advantages and drawbacks in common scenarios. The performance of the analyzed structure is expressed with different indexes that allow us direct comparisons. The obtained results show that the proper design and tuning of the feedforward action helps to significantly improve the overall control performance in process control tasks. Full article
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5356 KiB  
Article
Modeling and Optimization of High-Performance Polymer Membrane Reactor Systems for Water–Gas Shift Reaction Applications
by Andrew J. Radcliffe, Rajinder P. Singh, Kathryn A. Berchtold and Fernando V. Lima
Processes 2016, 4(2), 8; https://0-doi-org.brum.beds.ac.uk/10.3390/pr4020008 - 01 Apr 2016
Cited by 9 | Viewed by 12079
Abstract
In production of electricity from coal, integrated gasification combined cycle plants typically operate with conventional packed bed reactors for the water-gas shift reaction, and a Selexol process for carbon dioxide removal. Implementation of membrane reactors in place of these two process units provides [...] Read more.
In production of electricity from coal, integrated gasification combined cycle plants typically operate with conventional packed bed reactors for the water-gas shift reaction, and a Selexol process for carbon dioxide removal. Implementation of membrane reactors in place of these two process units provides advantages such as increased carbon monoxide conversion, facilitated CO2 removal/sequestration and process intensification. Proposed H2-selective membranes for these reactors are typically of palladium alloy or ceramic due to their outstanding gas separation properties; however, on an industrial scale, the cost of such materials may become exorbitant. High-performance polymeric membranes, such as polybenzimidazoles (PBIs), present themselves as low-cost alternatives with gas separation properties suitable for use in such membrane reactors, given their significant thermal and chemical stability. In this work, the performance of a class of high-performance polymeric membranes is assessed for use in integrated gasification combined cycle (IGCC) units operated with carbon capture, subject to constraints on equipment and process streams. Several systems are considered for use with the polymeric membranes, including membrane reactors and permeative stage reactors. Based upon models developed for each configuration, constrained optimization problems are formulated which seek to more efficiently employ membrane surface area. From the optimization results, the limiting membrane parameter for achieving all carbon capture and H2 production specifications for water–gas shift reactor applications is determined to be the selectivity, α H 2 / C O 2, and thus a minimum value of this parameter which satisfies all the constraints is identified for each analyzed configuration. For a CO2 capture value of 90%, this value is found to be α = 61 for the membrane reactor and the 3-stage permeative stage reactor and α = 62 for the 2-stage permeative stage reactor. The proposed systems approach has the potential to be employed to identify performance limitations associated with membrane materials to guide the development of future polymeric and other advanced materials with desired membrane characteristics for energy and environmental applications. Full article
(This article belongs to the Special Issue Polymer Modeling, Control and Monitoring)
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2542 KiB  
Article
Gaussian Mixture Model-Based Ensemble Kalman Filtering for State and Parameter Estimation for a PMMA Process
by Ruoxia Li, Vinay Prasad and Biao Huang
Processes 2016, 4(2), 9; https://0-doi-org.brum.beds.ac.uk/10.3390/pr4020009 - 30 Mar 2016
Cited by 13 | Viewed by 8026
Abstract
Polymer processes often contain state variables whose distributions are multimodal; in addition, the models for these processes are often complex and nonlinear with uncertain parameters. This presents a challenge for Kalman-based state estimators such as the ensemble Kalman filter. We develop an estimator [...] Read more.
Polymer processes often contain state variables whose distributions are multimodal; in addition, the models for these processes are often complex and nonlinear with uncertain parameters. This presents a challenge for Kalman-based state estimators such as the ensemble Kalman filter. We develop an estimator based on a Gaussian mixture model (GMM) coupled with the ensemble Kalman filter (EnKF) specifically for estimation with multimodal state distributions. The expectation maximization algorithm is used for clustering in the Gaussian mixture model. The performance of the GMM-based EnKF is compared to that of the EnKF and the particle filter (PF) through simulations of a polymethyl methacrylate process, and it is seen that it clearly outperforms the other estimators both in state and parameter estimation. While the PF is also able to handle nonlinearity and multimodality, its lack of robustness to model-plant mismatch affects its performance significantly. Full article
(This article belongs to the Special Issue Polymer Modeling, Control and Monitoring)
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4840 KiB  
Article
A Dynamic Optimization Model for Designing Open-Channel Raceway Ponds for Batch Production of Algal Biomass
by Soumya Yadala and Selen Cremaschi
Processes 2016, 4(2), 10; https://0-doi-org.brum.beds.ac.uk/10.3390/pr4020010 - 30 Mar 2016
Cited by 14 | Viewed by 7517
Abstract
This work focuses on designing the optimum raceway pond by considering the effects of sunlight availability, temperature fluctuations, and harvest time on algae growth, and introduces a dynamic programing model to do so. Culture properties such as biomass productivity, growth rate, and concentration, [...] Read more.
This work focuses on designing the optimum raceway pond by considering the effects of sunlight availability, temperature fluctuations, and harvest time on algae growth, and introduces a dynamic programing model to do so. Culture properties such as biomass productivity, growth rate, and concentration, and physical properties, such as average velocity, pond temperature, and rate of evaporation, were estimated daily depending on the dynamic behavior of solar zenith angle, diurnal pattern of solar irradiance, and temperature fluctuations at the location. Case studies consider two algae species (Phaeodactylum. tricornutum and Isochrysis. galbana) and four locations (Tulsa, USA; Hyderabad, India; Cape Town, South Africa; and Rio de Janeiro, Brazil). They investigate the influences of the type of algae strain and geographical location on algae biomass production costs. From our case studies, the combination of I. galbana species grown in Hyderabad, India, with a raceway pond geometry of 30 cm channel depth, about a meter channel width, and 300 m in length, and a harvest interval of every six days yielded the minimum algal biomass production costs. The results of the sensitivity analysis reveal that smaller channel depths and longer ponds (within the ranges considered) are recommended to minimize the net present cost of algae biomass production. Full article
(This article belongs to the Special Issue Algorithms and Applications in Dynamic Optimization)
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