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Publisher Summary This chapter discusses moving finite difference method combined with Weighted Essentially Non-Oscillatory (WENO) scheme for the dynamic simulation of batch crystallization processes described by hyperbolic-like... more
Publisher Summary This chapter discusses moving finite difference method combined with Weighted Essentially Non-Oscillatory (WENO) scheme for the dynamic simulation of batch crystallization processes described by hyperbolic-like Population Balance Equation (PBE) with a discontinuous initial condition. The accurate and stable WENO scheme shows an improvement of numerical results over conventional discretization methods (backward or central) on fixed grids as well as on moving grids. Owing to the moving grid method with the WENO scheme, which tracks well a steep front or shock, the physical model of PBEs could be numerically represented more exactly. Numerical results are compared with experimental results for the crystallization process of the potassium sulfate (K 2 SO 4 /H 2 O). The new approach is considered as an efficient numerical solution procedure for the verification of models described by hyperbolic-like Partial Differential Equations (PDEs).
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RESUME: PrODHyS est un environnement de simulation dynamique hybride dont la particularité est de fournir des composants orientés objets généraux et réutilisables pour la modélisation d’appareils et d’opérations présents dans les procédés... more
RESUME: PrODHyS est un environnement de simulation dynamique hybride dont la particularité est de fournir des composants orientés objets généraux et réutilisables pour la modélisation d’appareils et d’opérations présents dans les procédés industriels. Dans le cas de l’étude des procédés discontinus (ou « procédés batch »), cet article montre l’intérêt de coupler ce simulateur à un module d’optimisation pour initialiser certains paramètres, ainsi que pour garantir la satisfaction des contraintes temporelles. Un modèle MILP dédié à l’ordonnancement court terme des procédés discontinus multi-produit à topologie réseau est présenté, ainsi que son couplage avec le modèle de simulation.
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European Symposium on Computer Aided Process Engineering-11 R. Gani and SB Jorgensen (Editors). 92001 Elsevier Science BV All rights reserved. Open software architecture for numerical solvers: design, implementation and validation... more
European Symposium on Computer Aided Process Engineering-11 R. Gani and SB Jorgensen (Editors). 92001 Elsevier Science BV All rights reserved. Open software architecture for numerical solvers: design, implementation and validation Jean-Pierre ...
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The importance of Life Cycle Assessment (LCA) as an environmental decision support tool continues to increase rapidly in the recent years. Research on the environmental impacts of chemical engineering has gain a lot of popularity but it... more
The importance of Life Cycle Assessment (LCA) as an environmental decision support tool continues to increase rapidly in the recent years. Research on the environmental impacts of chemical engineering has gain a lot of popularity but it still needs bundles of improvement and expansion for its implementation in the industrial process evaluation. In this study, Life Cycle Assessment of biofuel
Research Interests: Engineering, Chemical Engineering, Environmental Science, Process Systems Engineering, Life Cycle Assessment, and 13 moreSystem Engineering, Jatropha curcas, Biofuel, Data Collection, Decision support tool, Environmental Impact, Génie Chimique, Bioprocess, Process System Engineering, Génie Des Procédes Des Matériaux, Societal and Environmental Systems Engineering, Process Evaluation, and Sustainability
A simulation tool incorporating a Maxwell-Stefan approach coupled with a drop population model for the dynamic simulation of liquid- liquid extraction pulsed column has been developed. Fundamental mechanisms like transport, axial... more
A simulation tool incorporating a Maxwell-Stefan approach coupled with a drop population model for the dynamic simulation of liquid- liquid extraction pulsed column has been developed. Fundamental mechanisms like transport, axial back-mixing and forward-mixing, drop breakage and interdrop coalescence, including the Marangoni effect, are described in a detail way.
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ABSTRACT Following the principles of the Model Driven Approach we suggest that a process simulator should transform a platform-independent model, written in the MathML dialect, into mathematical expressions to be evaluated by either... more
ABSTRACT Following the principles of the Model Driven Approach we suggest that a process simulator should transform a platform-independent model, written in the MathML dialect, into mathematical expressions to be evaluated by either numerical or symbolic calculation systems. Simulation consists in a co-operation of those calculation systems: the computer algebra systems are in charge, during run-time, of symbolic model transformations providing the expressions required by the solving methods in the numerical calculation systems.
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ABSTRACT Even if today problem solving environments may include editing capabilities, CAPE engineers keep on exchanging their simulation models and results through Microsoft Office documents. In order to maintain consistency between data... more
ABSTRACT Even if today problem solving environments may include editing capabilities, CAPE engineers keep on exchanging their simulation models and results through Microsoft Office documents. In order to maintain consistency between data written in textual documents and data handled by calculation systems, we suggest to make Office documents CAPE software frameworks. The eXMSL for Microsoft Office plug-in forwards equations present in documents to a calculation system which solves them. Results are available as equations which can be inserted anywhere in the document. Such an approach seems to be fruitful mainly because it is based on software components, a paradigm now widely spread inside our CAPE community.
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ABSTRACT This paper is devoted to the development of a general methodology for application to the simulation of multicomponent batch distillation with or without chemical reactions. After a survey of the field of batch distillation and... more
ABSTRACT This paper is devoted to the development of a general methodology for application to the simulation of multicomponent batch distillation with or without chemical reactions. After a survey of the field of batch distillation and dynamic simulation applied to batch distillation, evolutions and trends are reviewed through the presentation of the proposed methodology. This methodology is based on the formulation and development of a rigorous model in comparison with those commonly used in batch distillation. The resulting set of differential-algebraic equations (DAE) is solved using an efficient numerical strategy based on Gear's method, which is especially adapted to deal with DAE systems and numerical features arising in the batch context. Numerical difficulties due to detection of time and state events, the occurrence of discontinuities and start-up policy schemes (involving chemical reactions or not) are emphasized. Original and interesting solutions are proposed to tackle each of these problems. Finally, the flexibility, reliability and efficiency of the proposed methodology are illustrated through academic and industrial case studies, the results of which are compared with plant data.
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Research Interests: Information Systems, Engineering, Computer Science, Business Process Management, Business Process Modeling, and 9 moreReverse Engineering, Model Transformation, Business and Management, Process management, Enterprise Information Systems, Business Process, Functional integration, Enterprise Information System, and Information System
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ABSTRACT Key issues related to the use of the Simultaneous Modular Approach as a basis for an efficient dynamic simulator are presented. The proposed strategy is articulated roughly at two calculation levels. First, the module level,... more
ABSTRACT Key issues related to the use of the Simultaneous Modular Approach as a basis for an efficient dynamic simulator are presented. The proposed strategy is articulated roughly at two calculation levels. First, the module level, where the model and local control loop equations are solved all together via a global approach using an adapted Gear's integration code for DAE systems. Features and problems (consistent initialization, index problem, discontinuities, …) encountered at this level are discussed in the proposed context. Second, at the flowsheet level recycle and control equations are solved simultaneously using a DAE integrator along with Dynamic Sensitivity Matrix techniques used to promote the convergence. Testing of this strategy - with comparison to other approaches - was previously performed on flowsheets with interconnected flash units. It is extended here to flowsheets with highly interconnected distillation columns. Future perspectives and evolutions are then discussed.
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Life Cycle Assessment (LCA) is a method used to evaluate the potential impacts on the environment of a product, process, or activity throughout its life cycle. Todays LCA users are a mixture of individuals with skills in different... more
Life Cycle Assessment (LCA) is a method used to evaluate the potential impacts on the environment of a product, process, or activity throughout its life cycle. Todays LCA users are a mixture of individuals with skills in different disciplines who want to evaluate their products, processes, or activities in a life cycle context. This study attempts to present some of the LCA studies on agro-chemical processes, recent advances in LCA and their application on food products and non-food products. Due to the recent development of LCA methodologies and dissemination programs by international and local bodies, use of LCA is rapidly increasing in agricultural and industrial products. The literatures suggest that LCA coupled with other environmental approaches provides much more reliable and comprehensive information to environmentally conscious policy makers, producers, and consumers in selecting sustainable products and production processes. For this purpose, a field study of LCA of biodi...
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The PBE (population balance equation) containing birth, growth, agglomeration and breakage kinetics is described by a conservation law with a moving source term. For the solution of the PBE, we compare two accurate front tracking methods... more
The PBE (population balance equation) containing birth, growth, agglomeration and breakage kinetics is described by a conservation law with a moving source term. For the solution of the PBE, we compare two accurate front tracking methods such as a modified ...
Research Interests: Mechanical Engineering, Chemical Engineering, Mathematics, Crystal Growth, Kinetics, and 13 moreParameter estimation, Dynamic Simulation, Potassium, Historic conservation law, Finite Difference, Finite Difference Method, Chemical Engineering Science, Population Balance Equation, Method of Characteristics, Initial Condition, Experimental Data, Adaptive Mesh, and Upwind Scheme
The modeling of batch crystallization involves a population balance to get the crystal size distribution which is one of the most important properties in this process. Thus, this model leads to a system of integral, partial differential... more
The modeling of batch crystallization involves a population balance to get the crystal size distribution which is one of the most important properties in this process. Thus, this model leads to a system of integral, partial differential and algebraic equations (IPDAE). This system can be easily solved by finite difference methods with uniform discretization. However to increase the calculation efficiency and the crystal size distribution accuracy, an adaptive finite difference method with a non-uniform discretization was developed. Results of both methods are compared in term of efficiency and are confronted to experimental data in term of accuracy.
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Research Interests: Mechanical Engineering, Chemical Engineering, Chemistry, Heat Exchanger, Heat and Mass Transfer, and 11 moreDynamic Modeling, Génie Chimique, Hot Spot, Thermal Stability, Operant Conditioning, Chemical Engineering Science, Fixed Bed Reactors, Flow Rate, Experimental Measurement, Experimental Data, and dynamic model
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ABSTRACT In moving mesh methods, physical PDEs and a mesh equation derived from equidistribution of an error metrics (so-called the monitor function) are simultaneously solved and meshes are dynamically concentrated on steep regions (Lim... more
ABSTRACT In moving mesh methods, physical PDEs and a mesh equation derived from equidistribution of an error metrics (so-called the monitor function) are simultaneously solved and meshes are dynamically concentrated on steep regions (Lim et al., 2001).However, the simultaneous solution procedure of physical and mesh equations suffers typically from long computation time due to highly nonlinear coupling between the two equations. Moreover, the extended system (physical and mesh equations) may be sensitive to the tuning parameters such as a temporal relaxation factor. It is therefore useful to design a simple and robust moving mesh algorithm in one or multidimension. In this study, we propose a sequential solution procedure including two separate parts: prediction step to obtain an approximate solution to a next time level (integration of physical PDEs) and regriding step at the next time level (mesh generation and solution interpolation). Convection terms, which appear in physical PDEs and a mesh equation, are discretized by a WENO (Weighted Essentially Non-Oscillatory) scheme under the consrvative form.This sequential approach is to keep the advantages of robustness and simplicity for the static adaptive grid method (local refinement by adding/deleting the meshes at a discrete time level) as well as of efficiency for the dynamic adaptive grid method (or moving mesh method) where the number of meshes is not changed. For illustration, a phase change problem is solved with the decomposition algorithm.
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This study focuses on the adaptive mesh method for simulation of crystallization processes. Because the models of the processes are very complex, giving partial and ordinary differential, algebraic, and integral equations, it is important... more
This study focuses on the adaptive mesh method for simulation of crystallization processes. Because the models of the processes are very complex, giving partial and ordinary differential, algebraic, and integral equations, it is important to get a numerical solution. ...