Chemical Engineering BATCH PROCESSING DIWEKAR Modeling and Design BATCH PROCESSING Modeling and Design “…is very timely as there are only very few texts dealing with the subject in a unified manner. The book provides a good overview of batch reaction and separation process- es. In particular there is a comprehensive treatment of batch separation processes that extends over nine chapters.” ––Dominique Bonvin, École polytechnique fédérale de Lausanne, Switzerland “… students and practitioners will find this book to be very helpful — especially those that have little experience in modeling and optimizing batch processes. Seider, University of Pennsylvania TOPICS INCLUDE: • Batch distillation operating modes and configurations • Batch absorption operations based on the solubility difference • Batch adsorption based on differential affinity of various soluble molecules to solid absorbents • Batch chromatography for measuring a wide variety of thermodynamic, kinetic, and physico-chemical properties • Batch crystallization where a phase is used to find the supersaturation at which point material crystallizes • Batch drying that stresses the phase diagram of water to describe this operation • Batch filtration using a porous medium or screen to separate solids from liquids • Batch centrifugation where centrifugal force is used for separation Although batch processing has existed for a long time, designing these processes and unit operations has been considered an onerous task that required computational efforts.
Design of these processes is difficult because of the time dependent nature of the process and the allowable flexibility. More often than not, every unit encounters optimal control problems. Therefore, traditional design books did not cover batch processing in detail. Fill- ing this void, Batch Processing: Modeling and Design describes various unit operations in batch and bio-processing as well as design methods for these units.
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Trademark Notice: Product or corporate names may be trademarks or registered trademarks, and are used only for identification and explanation without intent to infringe. Visit the Taylor & Francis Web site at http://www.com and the CRC Press Web site at http://www.com To my sister Utpala Diwekar, who taught me how to study. Contents List of Figures xi List of Tables xv Preface xvii 1 Introduction 1 1.3 Optimization and Optimal Control. 4 2 Numerical Methods for Integration 5 2.1 Error and Stability .2 Numerical Integration Techniques .1 One-Step Methods .3 Stiff Equations and Implicit Methods .3 Orthogonal Collocation Method .1 Classification of Reactions and Reaction Kinetics .4 Reactions in Parallel .5 Reactions in Series .7 Biodiesel Production: A Case Study .1 Early Theoretical Analysis .2 Hierarchy of Models.
53 vii viii Contents 4.2 Low Holdup Semirigorous Model .4 Optimization and Optimal Control .6 Computer Aided Design Software. 63 5 Optimization and Optimal Control 67 5.1 Optimization Problems and Software .2 Convex and Concave Functions .1 Solid Extraction or Leaching .2 Rate of Extraction .3 Liquid-Liquid Extraction .1 The Linear Isotherm .2 The Langmuir Isotherm .3 The Freundlich Isotherm .4 The BET Isotherm .5 The Gibbs Isotherm .2 Fixed Bed or Packed Bed Adsorption. 127 Contents ix 10 Batch Crystallization 129 10.4 Modeling Cooling Batch Crystallization .5 Modeling Evaporative Batch Crystallization .6 Optimal Control Problems .1 Thermodynamics of Drying .2 Rate of Drying .1 Movement of Water during Drying .3 Types of Dryers .1 Conventional or Dead-End Filtration .3 Types of Filtration Equipment .1 Sedimentation in a Centrifugal Field .2 Filtration in Centrifugal Field. 176 14 Batch Scheduling and Planning 179 14.1 Types of Scheduling Problems .2 Role of Optimization in Batch Scheduling .3 Industrial Scheduling Problem.
196 15 Batch Process Simulation 199 15.1 Benefits of Batch Process Simulation .2 Detailed Modeling of Single Batch Processes .1 Model Creation Steps .2 API Manufacturing Example .3 Modeling of Multiproduct Batch Plants .1 Approaches to Modeling of Multiproduct Batch Plants 216 15.2 Polymer Resin Manufacturing Example. 230 x Contents Bibliography 233 Index 243 List of Figures 2.1 Comparison of Euler’s method with exact solution .2 Comparison of Euler and backward Euler’s methods with exact solution .3 Finite element collocation .1 Schematic of batch and fed-batch reactors .2 Concentration profiles for the first-order and second-order re- actions .3 Concentration profiles for the parallel reactions .4 Concentration profiles for the reactions in series .5 Concentration profiles for the autocatalytic reactions .6 Concentration profiles for the Monod kinetics in a batch and a fed-batch reactor .7 Concentration profiles for the tequila fermentation in a batch reactor .8 Biodiesel transesterification reactions .9 Concentration profiles for the transesterification reactions in a batch reactor at constant temperature .10 Concentration profiles for the methyl ester .11 Optimal temperature profile .1 Equilibrium curve for the CS2 and CCl4 mixture at 1 atmo- sphere pressure .2 Types of distillation processes: (a) batch distillation and (b) continuous distillation.3 Various configurations of batch distillation column.4 Schematic of a batch distillation column.5 McCabe-Thiele method .6 Graphical integration for Example 4.7 Graphical integration for calculation of batch time for Example 4.8 The three operating modes .9 The flowchart for the shortcut method .10 Vapor-liquid equilibrium curve for the ethanol-water system .11 A residue curve map of the propyl amine-acetonitrile-water sys- tem. 61 xi xii List of Figures 5.1 Pictorial representation of the numerical optimization frame- work .2 Examples of convex and non-convex sets .3 Linear programming graphical representation, Exercise 5.4 Shadow price of the constraint 5.5 Concentration profile for product R .6 Tree representation for branch and bound .1 Schematic of extraction battery .2 Schematic of stages in extraction battery .3 McCabe-Thiele procedure for Example 7.4 Ternary diagram and tie lines for liquid liquid extraction (www.5 Operational fractions of batch extractive distillation in a middle vessel column[1].1 Shapes of different equilibrium adsorption isotherms .2 The Langmuir isotherm .3 Five types of BET isotherms[2] .4 Data for adsorption of nitrogen .5 Langmuir isotherm fit to the adsorption data for nitrogen .6 BET isotherm fit to the adsorption data for nitrogen .7 Gibbs isotherm fit to the adsorption data for nitrogen .8 Cross section of the adsorption column reproduced from [3] .9 Shape of adsorption wave for different isotherms .1 Schematic illustration of elution chromatography. Three solutes are separating depending on the affinity to stationary phase at different times.2 Chromatogram obtained by elution chromatography of a mix- ture of three solutes.
The retention time tR is the time taken by a solute to pass through the column. tM is the mobile-phase holdup and is measured as the retention time of a non-sorbed solute. t′R is the adjusted retention time, the total time spent by the solute in the stationary phase.3 Properties of Gaussian peak .1 Schematic of batch crystallizer .3 Schematic of metastable zone .4 Linear temperature profile .6 The zero-th moment profile .7 The first moment profile. 138 List of Figures xiii 10.8 The second moment profile .9 Particle size distributions .10Various trajectories of late and early growth, reproduced from Ward et al.1 Phase diagram for water (http://serc.2 Vapor pressure temperature diagram for water .3 Equilibrium-moisture curves .5 Drying curve for different materials .6 Multi-pass tray dryer operation heated by air .7 Schematic of conductive drying in a tray .1 Schematic diagram of (a) conventional and (b) crossflow filtra- tion operation .2 Filtration curve for Example 12.3 Schematic of concentration polarization in ultrafiltration .4 Schematic of plate-and-frame filter operation .1 Schematic of the continuous gravity separator separating two immiscible fluids .2 Schematic of the batch centrifuge separating two immiscible fluids .3 Schematic of the filtration centrifuge .1 Simple batch process flow diagram for Products A, B, and C 180 14.2 Gantt chart for the production schedule of Products A, B, and C.3 An example of a flowshop plant .4 Resin plant equipments .5 Gantt chart for the example problem .6 Gantt chart for the resin plant scheduling problem, current schedule of the plant (average cycle times) .7 Gantt chart for the resin plant scheduling problem, optimal solution found by the MILP program .1 Uses of batch process simulation throughout the lifecycle of a product .2 Flow diagram of an API process .3 The operations associated with the first unit procedure (”P-1”) of Figure 15.4 Gantt chart of the API manufacturing process .5 Equipment occupancy chart for three consecutive batches .6 Equipment occupancy chart for the case with three reactors .7 Equipment occupancy chart for the case with three reactors and two filters.
211 xiv List of Figures 15.8 Manufacturing cost breakdown .9 Polymer resin manufacturing process .10Gantt chart of the polymer resin recipe .11Block diagram of the polymer resin recipe .12Equipment occupancy chart for six batches of the same resin 223 15.13Resin manufacturing plant equipment layout .14Reactor cleaning changeover matrix .15Multi-campaign equipment occupancy chart for three products 226 15.16Equipment occupancy chart with longer campaigns .17Labor demand chart .18Tracking the production schedule .19The updated production schedule. 230 List of Tables 3.1 Parameters for the kinetic model .2 Values of ai and bi .1 The complete column dynamics .2 Time implicit model equations for the shortcut method .3 Comparison of software packages .1 Cost of separators in $/year .1 Total mass balance for Example 7.1 Breakthrough curves for the example .2 Breakthrough curves for the example in terms of dimensionless numbers .1 Parameter values for seeded batch cooling crystallizer .2 Initial values of moments .3 Final values of moments .4 Various objective functions used in optimal control of crystallization[4] .1 Data for filtration .2 Comparison of key characteristics of crossflow membrane modules[6] .1 Processing times for Products A, B, and C in each equipment 180 14.2 Processing times for each product .3 Completion times for each product .4 Departure times for each product .5 Processing times for each product .6 Problem characteristics of the MILP program .7 Departure times for each product .8 Assignment of processors to products .1 Raw material requirements .2 Key economic evaluation results .3 Raw material requirements and costs. 214 xv xvi List of Tables 15.