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23 European Symposium on Computer Aided Process Engineering

23 European Symposium on Computer Aided Process Engineering
Design of an Emulsion-based Personal Detergent through a Model-based Chemical Product Design Methodology

by Michele Mattei,Michael Hill,Georgios M. Kontogeorgis,Rafiqul Gani

  • Publisher : Elsevier Inc. Chapters
  • Release : 2013-06-10
  • Pages : 1088
  • ISBN : 0128086351
  • Language : En, Es, Fr & De
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An extended systematic methodology for the design of emulsion-based chemical products is presented. The methodology consists of a model-based framework involving seven sequential hierarchical steps: starting with the identification of the needs to be satisfied by the product and then adding one-by-one the different classes of chemicals, until a formulation is obtained, the stability of which as en emulsion is finally checked with appropriate models. Structured databases, appropriate pure component as well as mixture property models, rule-based selection criteria and CAMD techniques are employed together to obtain one or more candidate formulations. A conceptual case-study representing a personal detergent is presented to highlight the methodology.

23rd European Symposium on Computer Aided Process Engineering

23rd European Symposium on Computer Aided Process Engineering
A Book

by Anonim

  • Publisher : Elsevier
  • Release : 2013-06-10
  • Pages : 1088
  • ISBN : 0444632417
  • Language : En, Es, Fr & De
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Computer-aided process engineering (CAPE) plays a key design and operations role in the process industries, from the molecular scale through managing complex manufacturing sites. The research interests cover a wide range of interdisciplinary problems related to the current needs of society and industry. ESCAPE 23 brings together researchers and practitioners of computer-aided process engineering interested in modeling, simulation and optimization, synthesis and design, automation and control, and education. The proceedings present and evaluate emerging as well as established research methods and concepts, as well as industrial case studies. Contributions from the international community using computer-based methods in process engineering Reviews the latest developments in process systems engineering Emphasis on industrial and societal challenges

23 European Symposium on Computer Aided Process Engineering

23 European Symposium on Computer Aided Process Engineering
Forecasting research trends using population dynamics model with Burgers' type interaction

by Matylda Jabłońska,Robert Sitarz,Andrzej Kraslawski

  • Publisher : Elsevier Inc. Chapters
  • Release : 2013-06-10
  • Pages : 1088
  • ISBN : 0128086025
  • Language : En, Es, Fr & De
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The increasing costs of research and the decreasing lifetime of products and processes make the decisions on allocation of R&D funds strategically important. Therefore, ability to predict research trends is crucial in minimizing risks of R&D expenditure planning. The purpose of this paper is to propose a model for efficient prediction of research trends in a chosen branch of science. The approach is based on population dynamics with Burgers' type global interaction and selective neighborhood. The model is estimated based on a training set and an out-of-sample forecast is performed. The research trends of filtration processes were analysed in this paper. The simulation results show that the model is able to predict the trends with a considerable accuracy and should, therefore, be tested on a wider range of research fields.

23 European Symposium on Computer Aided Process Engineering

23 European Symposium on Computer Aided Process Engineering
Control of the particle size distribution in emulsion polymerization by mid-course correction using a hybrid model

by Alireza Hosseini,Milad Oshaghi,Sebastian Engell

  • Publisher : Elsevier Inc. Chapters
  • Release : 2013-06-10
  • Pages : 1088
  • ISBN : 0128086300
  • Language : En, Es, Fr & De
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In this paper, a new control strategy that employs a mid-course correction to control the particle size distribution in emulsion polymerization is developed. In this approach, online and infrequent measurements are used to obtain the states of the system at the mid-course of the process. Then an optimization is performed to obtain the optimal trajectory of the input from the mid-course up to the end of the process. For this optimization, a hybrid model is used. This hybrid model consists of the Fokker-Planck particle size distribution model of emulsion polymerization and a data-driven component which corrects the predictions of the Fokker-Planck model based upon the estimated states of the system at the mid-course of the process.

23 European Symposium on Computer Aided Process Engineering

23 European Symposium on Computer Aided Process Engineering
Design of Sustainable Blended Products using an Integrated Methodology

by Nor Alafiza Yunus,Krist V. Gernaey,John M. Woodley,Rafiqul Gani

  • Publisher : Elsevier Inc. Chapters
  • Release : 2013-06-10
  • Pages : 1088
  • ISBN : 0128086386
  • Language : En, Es, Fr & De
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This paper presents a systematic methodology for designing blended products consisting of three stages; product design, process identification and experimental verification. The product design stage is considered in this paper. The objective of this stage is to screen and select suitable chemicals to be used as building blocks in the mixture design, and then to propose the blend formulations that fulfill the desired product attributes. The result is a set of blends that match the constraints, the compositions, values of the target properties and information about their miscibility. The methodology has been applied to design several blended products. A case study on design of blended lubricants is highlighted. The objective is to identify blended products that satisfy the product attributes with at least similar or better performance compared to conventional products.

23 European Symposium on Computer Aided Process Engineering

23 European Symposium on Computer Aided Process Engineering
Advanced Control Used for Counteracting Accidental Pollutant Propagation in Rivers

by Vasile-Mircea Cristea,Elisabeta-Cristina Ani,Paul Serban Agachi

  • Publisher : Elsevier Inc. Chapters
  • Release : 2013-06-10
  • Pages : 1088
  • ISBN : 0128086661
  • Language : En, Es, Fr & De
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Based on a previously developed dynamic simulator, aimed to predict the distribution of a pollutant accidental discharge in a river segment, the present work investigated the way automatic measures may be implemented for counteracting their negative effects. The complex time and space distribution of the pollutant concentration in the downstream region of the pollutant release is revealed by the k-ε turbulence model of the flow, associated to the convection-diffusion-reaction processes. This information is used by the model based predictive control strategy for adding a neutralizing agent in certain points of the river segment in order to reduce the downstream pollutant concentration. Both feedback and combined feeedback-feedforward model predictive control structures are considered and the results are presented for the case study of a River Somes segment, in the scenario of the continuous pollutant release.

23 European Symposium on Computer Aided Process Engineering

23 European Symposium on Computer Aided Process Engineering
Enhanced configurations for polyesters synthesis by reactive distillation

by Mayank Shah,Anton A. Kiss,Edwin Zondervan,André B. de Haan

  • Publisher : Elsevier Inc. Chapters
  • Release : 2013-06-10
  • Pages : 1088
  • ISBN : 0128085754
  • Language : En, Es, Fr & De
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This study explores the best suitable internals and various feed configurations of a reactive distillation process for unsaturated polyester synthesis. Multi-product simulations were performed to find the operational parameters for producing different grades of polyester in the same equipment. The product transition time during product changeover is determined for various configurations and product grades. The selection criteria for the best configuration are the minimum requirements of volume and energy to produce 100 ktpy polyesters. The results of the rigorous simulations carried out in Aspen Custom Modeler show that the best configurations employ the reactive stripping section as a packed or trayed bubble column, and the reactive rectifying section as a packed column. With respect to the feed configuration, the feeding of monoesters to the RD column significantly intensifies the polyester process as compared to an anhydrous reactant fed directly to the column. Moreover, the product transition time in this configuration is also significantly reduced as compared to the other configurations.

23 European Symposium on Computer Aided Process Engineering

23 European Symposium on Computer Aided Process Engineering
Reactive Scheduling of micro Combined Heat and Power Systems via Multiparametric Programming

by Georgios M. Kopanos,Efstratios N. Pistikopoulos

  • Publisher : Elsevier Inc. Chapters
  • Release : 2013-06-10
  • Pages : 1088
  • ISBN : 0128085452
  • Language : En, Es, Fr & De
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This work introduces a methodology for the solution of reactive scheduling problems in small-scale fuel cell systems that cogenerate heat and power. The proposed approach successfully transforms the on-line optimization problem into a closed-loop control problem. In brief, a multiparametric programming problem is formulated and solved once and off-line, and afterwards a receding horizon-like approach is applied for the online scheduling by performing just function evaluations and avoiding on-line optimization. The proposed concept is promising and extensions can involve: large-scale optimization problems and process scheduling problems under uncertainty.

23 European Symposium on Computer Aided Process Engineering

23 European Symposium on Computer Aided Process Engineering
On the integration of model identification and process optimization

by Sebastian Recker,Nimet Kerimoglu,Andreas Harwardt,Olga Tkacheva,Wolfgang Marquardt

  • Publisher : Elsevier Inc. Chapters
  • Release : 2013-06-10
  • Pages : 1088
  • ISBN : 0128086696
  • Language : En, Es, Fr & De
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Reliable models for rate-based phenomena are the backbone of model-based process design. These models are often unknown in the early design phase and need to be determined from laboratory experiments. Although model-based experimental analysis and process design are often executed sequentially, the kinetic models might not be suitable to reliably design a process. In this paper, we address this problem and present a first step on the integration of model identification and process optimization. Rather than decoupling model identification and process optimization, we use information from process optimization to design optimal experiments for improving the quality of the kinetic model given the intended use of the model. Sensitivities, which describe the influence of parametric uncertainties on the economic objective used in process optimization, are used as weights for optimal experimental design. This way, the confidence in the parameter values is maximized to reduce their influence on the process optimization objective. This first step on the integration of model identification and process optimization improves the predictive quality of a reaction kinetic model for process design without any further experimental effort.

23 European Symposium on Computer Aided Process Engineering

23 European Symposium on Computer Aided Process Engineering
OFIS – Ontological Framework for Industrial Symbiosis

by Nikolaos Trokanas,Tara Raafat,Franjo Cecelja,Antonis Kokossis

  • Publisher : Elsevier Inc. Chapters
  • Release : 2013-06-10
  • Pages : 1088
  • ISBN : 012808586X
  • Language : En, Es, Fr & De
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This paper proposes an ontological framework to support Industrial Symbiosis (IS) operation. The framework exploits semantic knowledge modeling and enables structural data transformation for identification of potential synergies between various industries and hence formation of one to one and complex symbiotic networks.

23 European Symposium on Computer Aided Process Engineering

23 European Symposium on Computer Aided Process Engineering
Efficient Waste Management based on Scheduling Optimization of Waste Treatment Plants

by Elisabet Capón-García,Stavros Papadokonstantakis,Konrad Hungerbühler

  • Publisher : Elsevier Inc. Chapters
  • Release : 2013-06-10
  • Pages : 1088
  • ISBN : 0128086572
  • Language : En, Es, Fr & De
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This work presents a multi-period waste management multi-objective optimization, considering economic and environmental issues. The specific behavior of the considered waste management treatments is included in the optimization problem as black-box models based on practical industrial practice computing utility requirements and emissions. To achieve more realistic solutions, the estimation of waste treatment costs and environmental impacts has been explicitly added to the assessment scheme, as well as the constraints of the operating conditions in the treatment units and the fulfillment of environmental regulations for water and air emissions. This framework is applied to an industrial based case study and used to analyze the waste mixing potential. Two main strategies are proposed to tackle the problem using a rigorous mathematical problem formulation. The performance of both strategies is compared in terms of solution quality and computational complexity with the final aim of finding an efficient methodology for posing the heat and waste management integration problem in a future work.

23 European Symposium on Computer Aided Process Engineering

23 European Symposium on Computer Aided Process Engineering
An Uncertainty Assessment Framework for LCA-based Environmental Process Design

by Johannes Jung,Niklas von der Assen,André Bardow

  • Publisher : Elsevier Inc. Chapters
  • Release : 2013-06-10
  • Pages : 1088
  • ISBN : 0128086556
  • Language : En, Es, Fr & De
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Environmental process design methods often incorporate life-cycle assessment (LCA) as a deterministic black-box methodology. However, LCA suffers from several sources of ambiguity and uncertainty. These limitations are particularly severe for the multi-functional processes typical for the chemical industry. This work introduces a rigorous uncertainty assessment framework. The framework quantifies data uncertainties and also uncertainties that result from fixing multi-functionality in LCA by allocation. The method is derived from a matrix-framework for LCA and applied to a comparison of alternative chlorine electrolysis technologies.

23 European Symposium on Computer Aided Process Engineering

23 European Symposium on Computer Aided Process Engineering
Resource-Task Network Based Approach for Industrial Demand Side Management of Steel Production

by Lige Sun,Iiro Harjunkoski,Pedro Castro

  • Publisher : Elsevier Inc. Chapters
  • Release : 2013-06-10
  • Pages : 1088
  • ISBN : 0128085428
  • Language : En, Es, Fr & De
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In today's energy markets there is a growing effort in the alignment of the industrial sector to the power grid for the sake of efficient energy distribution and consumption. The steel making industry, as one of the most energy-intensive stakeholders, may play an important role in this context. In this paper, we use the Resource Task Network (RTN) in order to provide a generic modeling framework for scheduling problems under energy constraints. We study the impact of fluctuating electricity prices on the scheduling of operations in the steel plant and the economic profits that can be obtained from the steel plant's participation in the incentive-based iDSM program.

23 European Symposium on Computer Aided Process Engineering

23 European Symposium on Computer Aided Process Engineering
A Three Dimensional Dynamic CFD Simulation for the Direct DME Production in a Fixed Bed Reactor

by Fazel Moradi,Mohammad Kazemeini,Leila Vafajoo,Moslem Fattahi

  • Publisher : Elsevier Inc. Chapters
  • Release : 2013-06-10
  • Pages : 1088
  • ISBN : 0128085401
  • Language : En, Es, Fr & De
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Dimethyl ether (DME) as a clean fuel seems to be a superior candidate for high-quality diesel fuel in near future. In this study, a comprehensive three-dimensional dynamic heterogeneous model developed to simulate the flow behavior and catalytic coupling reactions for synthesis of the DME from hydrogenation of the CO and CO2, dehydration of methanol to dimethyl ether and water gas shift reaction in a fixed bed reactor. For this purpose, a CFD simulation was articulated where the standard k-ε model with 10% turbulence tolerations implemented. Then the concentration and temperature profiles along the reactor were determined. It was revealed that under conditions considered, a single phase physiochemical system under equilibrium existed for which simulations were performed. Ultimately, generated results of the model under appropriate industrial boundary conditions compared with those of others available in the open literature to verify the developed model. Then, the effects of various operating parameters including the pressure, temperature and flow rate of the feed to the reactor upon the DME production as well as; selectivity were examined. The CFD modeling results generated from the present work revealed reasonable agreement with obtained data of these authors and other experimental available in the open literature which considering the complexity of the task performed was rather satisfying.

23 European Symposium on Computer Aided Process Engineering

23 European Symposium on Computer Aided Process Engineering
An Efficient MILP Approach for the Short-Term Planning of Refined Products Blending and Distribution Operations

by Agustín F. Montagna,Diego C. Cafaro,Jaime Cerdá

  • Publisher : Elsevier Inc. Chapters
  • Release : 2013-06-10
  • Pages : 1088
  • ISBN : 0128086076
  • Language : En, Es, Fr & De
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Among the refined petroleum products obtained in an oil refinery, gasoline contributes with more than half of the total profits. This work is focused on the last stage of the gasoline processing in which different "cuts" are blended together with additives and oil fractions in order to fulfill customers' demands with the right product at the right time. The short-term planning of these operations becomes a complex task due to the need of managing a large number of orders, delivery time-windows, blending equipments, intermediate and final product tanks, quality specifications, and variable product recipes. Early works have adopted mixed-integer linear programming (MILP) models, based on unit-specific time slots, requiring extremely large CPU times to obtain the optimal solution. This work introduces an alternative formulation using the General Precedence sequencing concept for the integrated short-term planning of gasoline blending and distribution operations in order to minimize production costs, inventory levels and quality giveaways; improve customer satisfaction and avoid ship demurrage. Six industry-scale examples have been solved. Compared to previous works, results show similar solutions with reductions in CPU times of up to three orders of magnitude.

23 European Symposium on Computer Aided Process Engineering

23 European Symposium on Computer Aided Process Engineering
Global sensitivity analysis of a mineral processing flowsheet

by Felipe D. Sepulveda,Luis A. Cisternas,Edelmira D. Gálvez

  • Publisher : Elsevier Inc. Chapters
  • Release : 2013-06-10
  • Pages : 1088
  • ISBN : 0128086513
  • Language : En, Es, Fr & De
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In mineral processing, the recovery and/or concentration of the value components cannot occur in one operational stage, necessitating the use of separation circuits. The component to be separated is usually distributed at different concentrations and different particle sizes, resulting in different levels of recovery in terms of the particle size and concentration. Typically, more than one value component must be selectively removed by exploiting the differences in the components' floatability at different values of the pH, pulp potential and particle size. Several methods for the design of these circuits are available in the literature, but comparatively few articles present circuit analysis tools. In this work, global sensitivity analysis was used to analyze and design separation circuits. The effect of each stage on the general circuit was studied and the relationships between the recovery at each stage and the global recovery of the circuit were identified. The effects of uncertainties in the kinetic constants, the residence time and the number of cells were also analyzed. The Sobol' and Morris methods were applied using the software SimLab 2.2. The advantages and disadvantages of each method are discussed and the two methods are compared with local methods (which were previously published by the authors); application of the two methods to the design of mineral separation processes is also discussed. These considerations are illustrated by a case study.

23 European Symposium on Computer Aided Process Engineering

23 European Symposium on Computer Aided Process Engineering
Capital Cost Assessment for Total Site Power Cogeneration

by Stanislav Boldyryev,Petar Sabev Varbanov,Andreja Nemet,Jiří Jaromír Klemeš,Petro Kapustenko

  • Publisher : Elsevier Inc. Chapters
  • Release : 2013-06-10
  • Pages : 1088
  • ISBN : 0128085592
  • Language : En, Es, Fr & De
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Industrial regions consume large amounts of energy. A lot of research effort is targeted at improving energy efficiency. Heat recovery on Total Site level can provide a considerably high potential for energy saving for industrial areas. It offers opportunities for heat recovery and cogeneration in addition to individual processes. This work deals with estimation of capital cost for power co-generation, evaluating the potential steam turbine placement for various steam pressure levels. The methodology uses the basic principles of Total Site Integration and adds estimation of capital cost for steam turbines with different capacity, inlet and outlet of steam pressure. It also allows evaluating the trade-off between capital cost and energy consumption for the Total Site Integration.

23 European Symposium on Computer Aided Process Engineering

23 European Symposium on Computer Aided Process Engineering
GWh Level Renewable Energy Storage and Supply using Liquid CO2

by Easa I. Al-musleh,Dharik S. Mallapragada,Rakesh Agrawal

  • Publisher : Elsevier Inc. Chapters
  • Release : 2013-06-10
  • Pages : 1088
  • ISBN : 0128085681
  • Language : En, Es, Fr & De
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A novel energy storage system is proposed to deliver GWh or more of electric energy from an intermittently available energy source. The system is a closed loop cycle that transforms carbon atoms between liquid carbon dioxide and liquid methane. Methane is associated with the highest energy content per mole carbon. Therefore, for a given power, it requires the least amount of carbon circulation in the cycle. Both carbon dioxide and methane are stored as liquids, thereby avoiding the challenges associated with storing gases. In each case, the electrical power required for liquefaction is minimized by integrating the vaporization and liquefaction steps of carbon dioxide and methane. This means that the refrigeration available from vaporizing liquid carbon dioxide is used in the liquefaction of methane and the refrigeration available from vaporizing liquid methane is used in the liquefaction of carbon dioxide.

23 European Symposium on Computer Aided Process Engineering

23 European Symposium on Computer Aided Process Engineering
Geometry optimization of photochemical reactors for advanced oxidation processes

by T. Coenen,F. Logist,W. Van de Moortel,J. Luyten,J. Van Impe,J. Degrève

  • Publisher : Elsevier Inc. Chapters
  • Release : 2013-06-10
  • Pages : 1088
  • ISBN : 0128086378
  • Language : En, Es, Fr & De
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This paper studies the optimization of photochemical reactors for the production of hy-droxyl radicals which can be used in advanced oxidation processes for water purification. Minimization of the energy cost of the applied UV-lamp(s) is possible via a modelbased optimization of the reactor geometry. To this end, 2D reactor models are first built taking into account balance equations, reaction kinetics, reactor geometry and radiation intensity. Two tubular reactor configurations with cylinder-shaped UV-lamps are studied: a single-lamp reactor with only one lamp located at the reactor axis and a multi-lamp reactor in which the lamps are positioned symmetrically in a circular pattern. Afterwards well-posed optimization problems are formulated. For given values of the reactor volume, the flow of water to be treated and the radiation power of the UV-lamps, the aim is to minimize the average concentration of an organic pollutant at the reactor outlet. For the single-lamp reactor the optimal reactor diameter is computed, while for the multi-lamp reactor the optimal location of the lamps in the radial direction is calculated. From the results, it follows that an optimal reactor diameter (and length) exists for the single-lamp reactor (and for the multi-lamp reactor). For the multi-lamp reactor, an optimal lamp position exists. It has been shown that for the latter reactor an optimal number of lamps exists, trading off an improved radiation intensity uniformity and a decreased radiation penetration due to a lower radiation power per lamp.

23 European Symposium on Computer Aided Process Engineering

23 European Symposium on Computer Aided Process Engineering
Overview for Management of Change based on Business Process Model of Plant Lifecycle

by Kazuhiro Takeda,Hideo Saito,Yukiyasu Shiamad,Teiji Kitajima,Tetsuo Fuchino,Yuji Naka

  • Publisher : Elsevier Inc. Chapters
  • Release : 2013-06-10
  • Pages : 1088
  • ISBN : 0128086009
  • Language : En, Es, Fr & De
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Uncontrolled changes caused many accidents or disasters. Management of change (MOC) has been a very important issue in process safety management. In this paper, it is considered that MOC is divided to two parts: one is individual change management and the other is management of them. Individual change management is an instance of engineering over the plant lifecycle (Plant-LCE), however a business flow of MOC has been hardly discussed. A business flow of MOC is expected to be based on a business process model (BPM) of Plant-LCE. The logical process safety management based on a BPM of Plant-LCE has been proposed. However the BPM is dispersed and too detailed for precisely. Therefore, an overview for the BPM of Plant-LCE has been proposed. Using an individual change management example, this paper shows that a business flow of the MOC can be described in the overview of the BPM of Plant-LCE.