123 research outputs found

    Book of abstracts of the 10th International Chemical and Biological Engineering Conference: CHEMPOR 2008

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    This book contains the extended abstracts presented at the 10th International Chemical and Biological Engineering Conference - CHEMPOR 2008, held in Braga, Portugal, over 3 days, from the 4th to the 6th of September, 2008. Previous editions took place in Lisboa (1975, 1889, 1998), Braga (1978), Póvoa de Varzim (1981), Coimbra (1985, 2005), Porto (1993), and Aveiro (2001). The conference was jointly organized by the University of Minho, “Ordem dos Engenheiros”, and the IBB - Institute for Biotechnology and Bioengineering with the usual support of the “Sociedade Portuguesa de Química” and, by the first time, of the “Sociedade Portuguesa de Biotecnologia”. Thirty years elapsed since CHEMPOR was held at the University of Minho, organized by T.R. Bott, D. Allen, A. Bridgwater, J.J.B. Romero, L.J.S. Soares and J.D.R.S. Pinheiro. We are fortunate to have Profs. Bott, Soares and Pinheiro in the Honor Committee of this 10th edition, under the high Patronage of his Excellency the President of the Portuguese Republic, Prof. Aníbal Cavaco Silva. The opening ceremony will confer Prof. Bott with a “Long Term Achievement” award acknowledging the important contribution Prof. Bott brought along more than 30 years to the development of the Chemical Engineering science, to the launch of CHEMPOR series and specially to the University of Minho. Prof. Bott’s inaugural lecture will address the importance of effective energy management in processing operations, particularly in the effectiveness of heat recovery and the associated reduction in greenhouse gas emission from combustion processes. The CHEMPOR series traditionally brings together both young and established researchers and end users to discuss recent developments in different areas of Chemical Engineering. The scope of this edition is broadening out by including the Biological Engineering research. One of the major core areas of the conference program is life quality, due to the importance that Chemical and Biological Engineering plays in this area. “Integration of Life Sciences & Engineering” and “Sustainable Process-Product Development through Green Chemistry” are two of the leading themes with papers addressing such important issues. This is complemented with additional leading themes including “Advancing the Chemical and Biological Engineering Fundamentals”, “Multi-Scale and/or Multi-Disciplinary Approach to Process-Product Innovation”, “Systematic Methods and Tools for Managing the Complexity”, and “Educating Chemical and Biological Engineers for Coming Challenges” which define the extended abstracts arrangements along this book. A total of 516 extended abstracts are included in the book, consisting of 7 invited lecturers, 15 keynote, 105 short oral presentations given in 5 parallel sessions, along with 6 slots for viewing 389 poster presentations. Full papers are jointly included in the companion Proceedings in CD-ROM. All papers have been reviewed and we are grateful to the members of scientific and organizing committees for their evaluations. It was an intensive task since 610 submitted abstracts from 45 countries were received. It has been an honor for us to contribute to setting up CHEMPOR 2008 during almost two years. We wish to thank the authors who have contributed to yield a high scientific standard to the program. We are thankful to the sponsors who have contributed decisively to this event. We also extend our gratefulness to all those who, through their dedicated efforts, have assisted us in this task. On behalf of the Scientific and Organizing Committees we wish you that together with an interesting reading, the scientific program and the social moments organized will be memorable for all.Fundação para a Ciência e a Tecnologia (FCT

    4.Uluslararası Öğrenciler Fen Bilimleri Kongresi Bildiriler Kitabı

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    Çevrimiçi ( XIII, 495 Sayfa ; 26 cm.)

    계산 과학적 접근을 통한 지속가능한 공정의 최적 설계 및 산업에의 응용

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    학위논문 (박사)-- 서울대학교 대학원 : 공과대학 화학생물공학부, 2018. 2. 이원보.Recently, in the field of chemical engineering, many types of research based on high-performance computing have been combined with computer-aided process systems engineering. Therefore, various techniques of computational science such as computational fluid dynamics, optimization methodology, and machine learning have been applied to the problems of chemical reactor modeling and process optimization. Notably, in this advance computational science approach, the scope of research extends to non-traditional fields such as reactive research according to the 3D shape of the reactor that has not been easily solved in the past and surrogate model based optimization using machine learning. In this thesis, various methods are proposed to obtain the maximum profit with minimum cost by making a breakthrough design. In parallel, there is a growing demand for sustainable chemical processes in chemical engineering. Conventional chemical processes are highly dependent on oil prices, and unless a diverse portfolio is designed, the sustainability of their chemical industries can be violated because of the oil controlling from the Middle East or US. In addition, these crude oil based chemical processes and power plants generate a great deal of CO2. Therefore, it is not necessary to capture these CO2 and make only meaningless storage but to reproduce it as a product that can be used and make it economical carbon capture, utilization, and storage (CCUS) technology. To solve this series of processes, the Gas-to-Liquid (GTL) process and CCUS are being researched and developed in various ways. In this thesis, I will discuss the process modeling, optimizing, and designing the reactor and process using CFD, mathematical programming, machine learning, deep learning, and derivative-free optimization techniques in computational science. First of all, the Fischer-Tropsch microchannel reactor and 3-phase carbonation reactor, which are the key reactor of two most important processes of the sustainable process, the gas-to-liquid process (GTL) and the carbon capture, utilization, and storage (CCUS), are modeled by CFD. Also, we propose an integration platform of CFD model and process simulator and conduct research from the point of view of combining with existing process engineering. With these advanced reactor model, we propose a multi-objective optimization methodology using a stochastic optimization algorithm, a genetic algorithm (GA) with e-constraint method for simultaneously maximizing C5+ productivity and minimizing the temperature rise of a Fischer-Tropsch microchannel reactor. The main mixed integer nonlinear programming (MINLP) optimization problem is decomposed into an external CFD reactor model function and internal optimization constraints. The methodology is applied to the catalyst packing zone division, which is divided and packed with a different dilution ratio to distribute the heat of reaction evenly. The best solutions of the proposed optimizer are reproducible with different crossover fractions and are more efficient than other traditional non-convex constraint local solvers. Based on the Pareto optimal solution of the final optimizer with 4 zones, discrete dilution increases C5+ productivity to 22% and decreases ∆Tmax to 63.2% compared to the single zone catalyst packing case. Finally, several Pareto optimal solutions and sub-optimal solutions are compared and the results are documented in terms of C5+ productivity and maximum temperature increase. In process scale optimization platform, a modified DIRECT algorithm with a sub-dividing step for considering hidden constraints is proposed. The effectiveness of the algorithm is exemplified by its application to a cryogenic mixed refrigerant process using a single mixed refrigerant for natural gas liquefaction and its comparison with a well-known stochastic algorithm (GA, PSO, SA), and model based search algorithm (SNOBFIT), local solver (GPS, GSS, MADS, active-set, interior-point, SQP), and other hidden constraint handling methods, including the barrier approach and the neighborhood assignment strategy. Optimal solution calculated by the proposed algorithms decreases the specific power required for natural gas liquefaction to 18.9% compared to the base case. In the same chapter, heat exchanger network synthesis (HENS) has progressed by using mathematical programming-based simultaneous methodology. Although various considerations such as non-isothermal mixing and bypass streams are applied to consider real world alternatives in modeling phase, many challenges are faced because of its properties within non-convex mixed-integer nonlinear programming (MINLP). We propose a modified superstructure, which contains a utility substage for use in considering multiple utilities in a simultaneous MINLP model. To improve model size and convergence, fixed utility locations according to temperature and series connections between utilities are suggested. The numbers of constraints, discrete, and continuous variables show that overall model size decreases compared with previous research. Thus, it is possible to expand the feasible search area for reaching the nearest global solution. The models effectiveness and applications are exemplified by several literature problems, where it is used to deduce a network superior to that of any other reported methodology. In the case of plant-wide scale systems, a non-linear surrogate model based on deep learning is proposed using a variational autoencoder with deep convolutional layers and a deep neural network with batch normalization (VAEDC-DNN) for real-time analysis of the probability of death (Pdeath). VAEDC can extract representation features of the Pdeath contour with complicated urban geometry in the latent space, and DNN maps the variable space into the latent space for the Pdeath image data. The chlorine gas leak accident in the Mipo complex (city of Ulsan, Republic of Korea) is used for verification of the model. The proposed model predicts the Pdeath image within a mean squared error of 0.00246, and compared with other models, it exhibits superior performance. Furthermore, through the smoothness of image transition in the variable space, it is confirmed that image generation is not overfitting by data memorization. Finally, a pilot scale (1.0 BPD) compact GTL process comprising of reforming section, CO2 separating section and Fischer -Tropsch (FT) synthesis section is presented. Systematic design procedure adopted for the design of a modular 0.5 BPD microchannel FT reactor block design consisting of 528 process channels is described. On average 98.27% CH4 conversion to syngas in reforming section comprising of a pre-reformer unit and a tri-reformer unit, CO2 separation rate of 36.75 % along with CO/H2 reduction from 2.67 to 2.08 in CO2 membrane separation section comprising of three membrane separators, for the entire plant operation duration of 450 hr demonstrated successful and stable operation of pre-processing sections of the present pilot-scale compact GTL process. Parallel operation of FT microchannel reactor and multitubular fixed bed type FT reactor proved failure for latter due to reaction runaway, while the former showed stable operation with high CO conversion of 83% and successful temperature control (at 220 oC, 230 oC and at 240 oC during the 139 hr operation), which demonstrated the appreciable performance of KOGAS-SNU novel microchannel FT reactor. Furthermore, a tank agitator carbonation reactor in which the reaction between calcium oxide and carbon dioxide takes place is studied to understanding that how 6 design variables (the number of impeller, impeller type, D/T, clearance, speed, baffle) affect to the solid dispersion using CFD simulation.CHAPTER 1. Introduction 17 1.1. Research motivation 17 1.1.1. Chronological stages of development of process design 19 1.1.2. Current status of process systems engineering with computational science approach 21 1.1.3. Introduction to the sustainable process 23 1.2. Research objectives 25 1.3. Outline of the thesis 26 1.4. Associated publications 29 CHAPTER 2. Study of the Novel Reactor Models using Computational Science 30 2.1. Introduction 30 2.2. Gas-to-Liquid (GTL) Fischer-Tropsch (FT) reactor model 32 2.2.1. 2D axisymmetric computational fluid dynamics (CFD) based Fischer-Tropsch microchannel reactor single-channel model 37 2.2.2. 3D CFD based Fischer-Tropsch microchannel reactor multi-channel model 52 2.3. Carbon Capture, Utilization, and Storage (CCUS) multiphase carbonation reactor model 75 2.3.1. Rigorous reaction kinetics for carbonation based CCUS reactor 77 2.3.2. Eulerian multiphase model for carbonation reactor 92 2.4. CFD-Process integrated platform for simultaneous process and reactor design 105 2.4.1. Introduction 105 2.4.2. Model formulation 106 2.4.3. Result and discussion 112 2.4.4. Conclusion 116 CHAPTER 3. Optimization for the Unit, Process, and Plant-wide Systems 117 3.1. Introduction 117 3.2. Reactor systems scale optimization 119 3.2.1. Multi-objective optimization of microchannel reactor for Fischer-Tropsch synthesis using computational fluid dynamics and genetic algorithm 119 3.3. Process systems scale optimization 152 3.3.1. A modified DIRECT algorithm for hidden constraints optimization problem 152 3.3.2. Simultaneous synthesis of a heat exchanger network with multiple utilities using utility substages 200 3.4. Plant-wide systems scale modeling and optimization 233 3.4.1. Toxic gas release modeling for real-time analysis using variational autoencoder with convolution neural networks 233 CHAPTER 4. Industrial Applications 276 4.1. Optimal Design and Operation of Fischer-Tropsch Microchannel Reactor for Pilot Scale Compact Gas-to-Liquid Process 276 4.1.1. Pilot scale compact GTL process 277 4.1.2. Microchannel FT reactor design 286 4.1.3. Pilot plant experiment 287 4.1.4. Result and discussion 291 4.1.5. Conclusion 304 4.2. Industrial scale (40 tonCO2/day) CCUS carbonation reactor geometry design optimization 306 4.2.1. Design procedure and simulation set-up 310 4.2.2. Result and Discussion 313 4.2.3. Conclusion 332 CHAPTER 5. Concluding Remarks 334 5.1. Summary of Contributions 334 5.2. Future Work 337 Nomenclature 340 Reference 346 Abstract in Korean (국문초록) 360Docto

    Proceedings of the 10th International Chemical and Biological Engineering Conference - CHEMPOR 2008

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    This volume contains full papers presented at the 10th International Chemical and Biological Engineering Conference - CHEMPOR 2008, held in Braga, Portugal, between September 4th and 6th, 2008.FC

    Simulating urban soil carbon decomposition using local weather input from a surface model

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    Non peer reviewe

    Monoclonal Antibodies

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    Monoclonal antibodies are established in clinical practice for the treatment of cancer, and autoimmune and infectious diseases. The first generation of antibodies has been dominated by classical IgG antibodies, however, in the last decade, the field has advanced, and, nowadays, a large proportion of antibodies in development have been engineered. This Special Issue on "Monoclonal Antibodies" includes original manuscripts and reviews covering various aspects related to the discovery, analytical characterization, manufacturing and development of therapeutic and engineered antibodies

    A novel factorial design search to determine realizable constant sets for a multi-mechanism model of mixing sensitive precipitation

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    none5siA mechanistic model for the reactive precipitation of amine mono- and di-hydrochloride (AHC) salts was developed in the first stage of this work (Komrakova and Maluta, 2016). In a companion paper, an extensive experimental investigation of the reaction products is reported (Ershad, 2013). The experimental work shows a sudden shift from mono- to di- production as the blend strength of 4, 4′-methylene dianiline (MDA) decreases, and a strong dependence of di-concentration on excess HCl in the feed for the high blend strength experiments. Due to the complexity of the reaction-precipitation system, eleven constants related to physical properties and rates were identified in the model. An extensive search of the literature returned only realistic ranges for most of these constants. In this work, a novel method for reducing the uncertainty in the space defined by these eleven constants is presented. The trends in the experimental data were successfully reproduced and the model results provide a number of important insights into the two complex reaction outcomes. A factorial design search for similar loosely bounded parameter spaces is proposed.openMaluta F.; Eaglesham A.; Jones D.; Komrakova A.; Kresta S.M.Maluta F.; Eaglesham A.; Jones D.; Komrakova A.; Kresta S.M

    Respuesta ecofisiológica del espartal mediterráneo semiárido al cambio climático

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    [EN] Climate change is a component of the several planetary-scale shifts that are currently taking place in the Earth system, which as a whole are referred to as global change. However, climate, as a vector of energy and material fluxes, has the ability to interact with all the elements (including natural and social components) of the Earth system, also influencing their dynamics. The Mediterranean-European region has been identified as one of the most prominent climate response hot spots, and precipitation patterns are major limiting factors for human activities and natural ecosystems in this area. Climate model projections forecast an increase of 4–5°C over the course of this century in the Mediterranean-European region, and although with less confidence in specific values, they also detect a robust signal of change in precipitation patterns. These changes will consist of a decrease in the amount and frequency of precipitation, and an intensification of extreme precipitation events. Macrochloa tenacissima is a rhizomatous, C3 perennial tussock grass widespread and endemic in Western Mediterranean drylands, and is one of the few species that is usually dominant in its community. The soil in the interspaces of these tussocks is frequently covered by biological soil crust (BSC or biocrust), a community of organisms made up of cyanobacteria, green algae, heterotrophic bacteria, microfungi, lichens and bryophytes. Therefore, the major goal of this thesis is to estimate the effects of climate change on the ecophysiology of these two dominant functional types of the semiarid Western Mediterranean region[ES]El cambio climático es un componente de los diversos cambios a escala planetaria que actualmente están teniendo lugar en el Sistema tierra, los cuales en su conjunto son referidos como cambio global. Sin embargo, el clima, como vector de flujos energía y materia, tiene la habilidad de interactuar con todos los elementos (incluyendo componentes naturales y sociales) del Sistema tierra, influenciando así también en sus dinámicas. La región Mediterránea de Europa ha sido identificada como uno de los puntos calientes de respuesta al cambio climático más relevantes, y en esta área los patrones de precipitación son los principales factores limitantes para la actividad humana y los ecosistemas naturales. Las proyecciones de los modelos climáticos predicen un incremento de temperatura de 4– 5ºC durante el curso de esta centuria en la región Mediterránea de Europa, y aunque con menor fiabilidad en un valor específico, también detectan una señal de cambio robusta en los patrones de precipitación. Estos cambios consistirán en una disminución de la cantidad y frecuencia de la precipitación, así como una intensificación de los eventos de precipitación extremos. Macrochloa tenacissima es una planta C3 herbácea perenne, cespitosa y rizomatosa ampliamente distribuida y endémica de las zonas secas del Mediterráneo Occidental, y es una de las pocas especies que normalmente es dominante en su comunidad. El suelo presente entre las macollas de esta especie está frecuentemente cubierto por costra biológica del suelo (CBS o biocostra), una comunidad de organismos compuesta por cianobacterias, algas verdes, bacterias heterotróficas, microhongos, líquenes y briófitos. Por lo tanto, el principal objetivo de esta tesis es estimar los efectos del cambio climático en la ecofisiología de estos dos tipos funcionales dominantes en la región semiárida del Mediterráneo Occidental.Este trabajo ha sido posible gracias a la concesión de una beca predoctoral en el marco del Programa “Junta de Ampliación de Estudios” (JAE) para ser desarrollado en la Estación Experimental de Zonas Áridas, instituto perteneciente al Consejo Superior de Investigaciones Científicas (EEZA-CSIC). El trabajo se ha financiado mayoritariamente por el proyecto PREVEA (CGL2007-63258/BOS) concedido por el Plan Estatal I+D+I del Ministerio de Economía y Competitividad. También ha sido parcialmente financiado por los proyectos CARBORAD (CGL2011-27493) y Bacarcos (CGL2011-29429) del Ministerio de Economía y Competitividad; MesoTopos (RNM 04023), COSTRAS (RNM-3614) y GEOCARBO (P08-RNM-3721) de la Consejería de Innovación, Ciencia y Empresa de la Junta de Andalucía; BIOCOM (ERC 242658) del Consejo Europeo de Investigación bajo el VII Programa Marco de la Comunidad Europea (FP7/2007-2013); SCIN-Soil Crust InterNational (PRI-PIMBDV-2011-0874), proyecto Europeo BIODIVERSA.Peer reviewe
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