Batch Processes

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Edition: 1st
Format: Hardcover
Pub. Date: 2005-09-26
Publisher(s): CRC Press
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Summary

Reduced time to market, lower production costs, and improved flexibility are critical success factors for batch processes. Their ability to handle variations in feedstock and product specifications has made them key to the operation of multipurpose facilities, and therefore quite popular in the specialty chemical, pharmaceutical, agricultural, and biotechnology-enabled products industries.The editors of Batch Processes analyze the design, development, operations, and control of batch processes - providing answers to the most challenging and pressing problems associated with their use. They present a reference unique in its coverage of both process design and operations management issues. Leading experts from industry and academia contribute chapters that discuss batch process scheduling, design software tools, and the latest technologies, their implementation, and their respective advantages.The book is presented in four parts for easy reference. Part I, Batch Processing General Overview, introduces the topic and discusses batch processing industries. Part II, Batch Processing Design Issues, includes information on conceptual design and synthesis, reactors in bioindustries, distillation, crystallization, and pollution prevention. Part III, Batch Processing Management, informs the reader on modeling and optimization, planning and scheduling, monitoring and control, and supply chain management. Part IV, Future of Batch Processing, offers concluding remarks and contemplates the future of batch processing.

Table of Contents

PART I Batch Processing General Overview
Introduction
3(4)
Ekaterini Korovessi
Andreas A. Linninger
Batch Processing Industries
7(36)
Keith G. Tomazi
Andreas A. Linninger
James R. Daniel
Introduction
7(2)
Batch Dynamics
9(1)
Industries That Use Batch Processing
10(1)
Batch Processing in the Pharmaceutical Industry
10(17)
Life-Cycle of a Drug Product
10(2)
Pharmaceutical Product Development
12(3)
New Drug Application
15(1)
Approval
16(1)
Post-Approval Clinical Studies (Phase IV)
16(1)
Pharmaceutical Process Development
17(2)
Optimization
19(1)
Challenges
19(1)
Optimization of Product Development
20(2)
Optimal Process Development
22(1)
Case Study: Solid-Phase Peptide Synthesis
22(1)
The Main Reaction Step
23(4)
Batch Processing in the Specialty Chemicals and Household Chemicals Industries
27(4)
High-Purity Chemicals
28(1)
Cosmetics
29(2)
Batch Processes in the Food Industry
31(5)
Summary
36(7)
References
37(6)
PART II Batch Processing Design Issues
Conceptual Design and Synthesis of Batch Processes
43(40)
Rafiqul Gani
Irene Papaeconomou
Introduction
44(1)
Synthesis Problem Formulation and Solution Approaches
45(3)
Methods and Tools for Knowledge Generation
48(10)
Batch Operation Task Identification
50(1)
Liquid Mixing
50(1)
Reaction
50(1)
Separation
50(1)
Analysis of Initial Charge and Products
50(1)
Liquid Mixing
51(1)
Reaction
51(1)
Separation
51(2)
Identification and Selection of Operational Variables
53(1)
Definition of Operational Constraints and Performance Index
54(2)
Information (Knowledge) Representation
56(1)
Process Representation Frameworks
57(1)
Methods and Tools for Generating Alternatives
58(13)
Liquid Mixing Task
59(1)
Reaction Task
60(1)
Separation Task: Batch Distillation
61(4)
Synthesis Algorithm
65(2)
Short Example
67(1)
Separation: Solution Crystallization
68(2)
Network of Tasks
70(1)
Methods and Tools: Verify and Analyze Alternatives
71(1)
Case Studies
72(7)
Network of Separation (Crystallization) Tasks
72(1)
Problem Definition
72(1)
Step 1: Generate the Phase Diagrams at Different Temperatures
72(1)
Step 2: Check for Feasibility of the Specified Salt
72(2)
Step 3: Choose the First (Operation) Crystallization Temperature
74(1)
Step 4: Precipitation of Salts (by Evaporation of Solvent)
75(2)
Step 5: Verification by Simulation
77(2)
Useful References for Further Study
79(1)
Concluding Remarks
79(4)
Notation
80(1)
References
81(2)
Abstract
83(1)
Batch Reactors in the Bioindustries
83(24)
John Villadsen
Introduction
84(1)
Stoichiometric Considerations
85(3)
Kinetics of Bioreactions
88(4)
Substrates Extracted from a Gas Phase
92(3)
Mass Balances for Bioreactors Working in the Batch Mode
95(3)
Fed-Batch Operation
98(9)
References
106(1)
Batch Distillation
107(44)
Ki-Joo Kim
Urmila Diwekar
Introduction
108(3)
Early Theoretical Analysis
111(9)
Simple Distillation
112(1)
Operating Modes
113(1)
McCabe--Thiele Graphical Method
114(1)
Constant Reflux Mode
115(1)
Variable Reflux Mode
116(2)
Optimal Reflux Mode
118(2)
Hierarchy of Models
120(7)
Rigorous Model
120(3)
Low Holdup Semirigorous Model
123(1)
Shortcut Model and Feasibility Considerations
124(2)
Collocation-Based Models
126(1)
Model Selection Guidelines
127(1)
Optimization and Optimal Control Problems
127(6)
Optimal Control Problems
128(1)
Performance Indices for Optimal Control Problems
129(2)
Solution Techniques
131(1)
Closed-Loop Control
132(1)
Emerging Batch Columns, Complex Systems, and Synthesis
133(11)
Emerging Batch Columns
133(1)
Batch Stripper
134(1)
Middle Vessel Column
134(2)
Multivessel Column
136(1)
Complex Batch Distillation Systems
137(1)
Azeotropic Batch Distillation
138(1)
Extractive Batch Distillation
139(1)
Reactive Batch Distillation
140(1)
Batch Distillation Synthesis
141(2)
Computer-Aided Design Software
143(1)
Summary
144(7)
Notation
146(1)
References
146(5)
Batch Crystallization
151(54)
Priscilla J. Hill
Introduction
152(1)
Fundamental Concepts
153(9)
Solubility
154(2)
Phase Diagram
156(1)
Eutectic Diagram
156(1)
Ternary Diagram
157(1)
Supersaturation
158(1)
Metastable Zone Width
158(1)
Crystal Structure and Crystal Shape
159(2)
Polymorphism
161(1)
Enantiomorphs
162(1)
Crystallization Kinetics
162(7)
Growth
162(2)
Nucleation
164(2)
Agglomeration
166(1)
Breakage and Attrition
166(2)
Comments on Size Enlargement
168(1)
Design Models
169(8)
Particle Size Distributions and Population Balances
169(1)
Particle Size Distributions
169(1)
Population Balance Equations
170(2)
Solution of Population Balance Equations (PBEs)
172(1)
Mass Balance: Desupersaturation and Population Balances
172(1)
Magma Density
172(1)
Liquid Density
173(1)
Liquid Concentrations
173(1)
Parameter Estimation
174(1)
Growth and Nucleation
175(1)
Agglomeration
175(1)
Breakage and Attrition
175(1)
Mixing
176(1)
Design and Modeling Decisions
177(4)
Methods for Inducing Supersaturation
177(1)
Cooling
177(1)
Evaporation
178(1)
Separating Agent
178(1)
Reactive Crystallization
178(1)
Control of Supersaturation
179(1)
Cooling Curves
179(1)
Evaporation and Addition of Antisolvents
180(1)
Effect of Seeding
180(1)
Other Considerations
181(1)
Instrumentation
181(2)
Crystal Size Analysis
182(1)
Concentration Measurement
182(1)
Polymorph Characterization
183(1)
General Methodology
183(2)
Step 1: Information
183(1)
Step 2: Physical Property and Crystallization Kinetics Data
183(1)
Step 3: Modeling and Validation Experiments
184(1)
Step 4: Final Design
185(1)
Case Studies
185(10)
Population Balance Equation Solutions
185(3)
Bayer Alumina Process
188(4)
L-Glutamic Acid
192(3)
Concluding Remarks
195(10)
Notation
195(2)
References
197(8)
Crystallization and Associated Solid--Liquid Separations
205(50)
Sean M. Dalziel
Thomas E. Friedmann
Introduction
206(2)
Fundamentals
208(17)
Crystallization
208(1)
Mass Transfer
208(2)
Nucleation in Industrial Crystallizers
210(1)
Phase Diagram and Nucleation Thresholds
211(1)
Self-Nucleating or Seeding Batch Crystallization
212(1)
Measurement of Solubility Data
213(1)
Measurement of Nucleation Thresholds
214(1)
Solid/Liquid Separation
214(1)
Sedimentation
214(1)
Filtration
215(6)
Filtration in Centrifugal Field
221(3)
Washing
224(1)
Influence of Particle Size and Shape on Solid--Liquid Separation
225(1)
Lab Testing
225(16)
Crystallization Solvent
225(1)
Salt Forms
226(1)
Feasibility Testing Crystallization
226(1)
Vapor Diffusion Crystallization
227(1)
Miniature Feasibility Crystallization Tests
228(1)
Liter-Scale Stirred Vessel Crystallization
228(3)
Experimental Objectives of Liter-Scale Crystallization
231(3)
Purity and Mean Crystal Size
234(1)
Selection of Appropriate Mode of Solid--Liquid Separation
235(1)
Pretreatment of Slurry
235(1)
Filter Media Selection
236(1)
Lab-Scale Filtration Tests
237(1)
Sedimentation Tests
238(1)
Lab-Scale Centrifugation Tests
239(1)
Particle Size Measurement
240(1)
Suspension and Filtrate Rheology
240(1)
Pilot Testing
241(4)
Industrial Equipment
245(10)
Crystallization Equipment
245(1)
General
245(1)
Modular Crystallization Equipment
245(2)
Stainless Steel Agitated Tank Crystallizers
247(1)
Scraped-Surface Crystallization
247(1)
Melt Crystallization
247(1)
Solid--Liquid Separation Equipment
248(1)
Bag Filter
248(1)
Candle Filter
248(1)
Dead-End Filtration
248(1)
Filter Press
249(1)
Monoplate Pressure Filter/Nutsche Filter
249(1)
Tubular Centrifuge
249(1)
Peeler Centrifuge
250(1)
Vertical Basket Centrifuge
250(1)
Inverting Filter Centrifuge
250(1)
References
251(4)
Pollution Prevention for Batch Pharmaceutical and Specialty Chemical Processes
255(50)
Andreas A. Linninger
Andres Malcolm
Introduction
256(3)
Pollution Sources and Controls in Batch Industries
259(16)
Batch Operations in Pharmaceutical and Specialty Chemical Industries
260(1)
Multipurpose Plant Operation
260(2)
Purification
262(2)
Formulation/Dosage
264(1)
Pollution from Batch Operations
264(2)
Wastewater
266(1)
Organic Solvents
266(2)
Sludges
268(1)
Volatile Air Emissions
268(1)
Pollution Control Regulations
268(1)
Air Emissions Regulations
269(1)
Wastewater Regulations
269(1)
Regulations for Solid Wastes
270(1)
Regulatory Incentives for Pollution Prevention
271(2)
Cap-and-Trade Regulatory Model
273(2)
Implementation of Pollution Prevention
275(11)
Available Pollution Prevention Technologies
275(1)
Solvent Recovery Plant
275(2)
Wastewater Treatment Plant
277(1)
Incinerator Waste Plant
278(1)
Off-Site Disposal and Landfill
278(1)
Guidelines for Pollution Prevention
278(2)
Software Tools for Pollution Prevention
280(3)
Computer-Aided Methods for the Synthesis of Waste Reduction Options
283(1)
Mass Exchanger Networks
283(1)
Batch Process Design with Ecological Considerations
284(1)
Waste Reduction Methodologies for Batch Processes
284(1)
Combinatorial Process Synthesis
284(2)
Case Studies
286(6)
Case Study A. Multiperiod Waste Treatment Synthesis
286(1)
Initial Plant Infrastructure
286(1)
Waste Forecast Scenarios
287(3)
Case Study B. The Impact of Regulations on Manufacturing Practices
290(1)
Comparison of Regulatory Models
290(2)
Summary
292(1)
Summary of Pollution Prevention Software
293(12)
Online Manuals
293(1)
Databases
294(1)
Expert Systems
294(1)
Process Simulation Software Tools
294(1)
Decision-Analysis Tools
295(1)
Acknowledgments
296(1)
References
296(9)
PART III Batch Processing Management
Batch Process Modeling and Optimization
305(84)
Andreas Cruse
Wolfgang Marquardt
Jan Oldenburg
Martin Schlegel
Introduction
306(5)
Why Model?
307(3)
Why Optimize?
310(1)
What to Gain from Modeling and Optimization?
310(1)
Chapter Overview
311(1)
Modeling for Optimization
311(17)
Fundamental--Empirical Modeling
312(1)
Empirical Regression Models
313(1)
Empirical Trend Models
314(1)
Model and Process Uncertainty
315(2)
Discrete--Continuous Model Structures
317(1)
Single-Stage Models
318(1)
Multistage Models
318(1)
General Discrete--Continuous Hybrid Models
319(3)
Accommodating Structural Design Decisions
322(3)
The Treatment of Implicit Discontinuities
325(1)
Optimization Models
325(1)
Constraints
326(1)
Objectives
326(1)
Optimality
327(1)
Flexibility and Robustness
328(1)
Optimal Design
328(23)
Design of Batch Processes with Fixed Structure
328(1)
Mathematical Problem Formulation
329(1)
Solution Strategies
329(2)
Solution via Control Vector Parameterization
331(4)
Solution via Full Discretization
335(2)
Applications
337(3)
Structural Design of Batch Processes
340(1)
Mathematical Problem Formulation
340(2)
Solution Strategies
342(2)
Solution Algorithms for MIDO Problems
344(1)
Applications
345(1)
Design under Uncertainty
346(1)
Parametric Programming
347(1)
Robust Optimization
348(3)
Applications
351(1)
Optimization-Based Online Control and Operation
351(27)
Mathematical Problem Formulation
353(4)
Solution Strategies
357(1)
Batch-to-Batch Optimization
357(1)
Direct Online Optimization
358(1)
Tracking of the Necessary Conditions of Optimality
359(1)
Decomposition Approaches for Online Optimization
360(2)
Algorithms for Online Optimization
362(1)
Dynamic Data Reconciliation
363(1)
Real-Time Dynamic Optimization Algorithms
363(2)
Applications
365(13)
Summary
378(11)
References
380(9)
Batch Process Management: Planning and Scheduling
389(30)
Karl D. Schnelle
Matthew H. Bassett
Introduction
390(6)
Why Accurate Planning and Scheduling Are Needed
391(1)
Where Do Planning and Scheduling Fit?
392(1)
Importance of Integration
393(1)
How Can You Design a Plant without Planning or Scheduling?
394(1)
Steps for Real-World Planning and Scheduling
394(2)
Data and System Requirements
396(1)
Importance of Forecast Data
396(1)
Importance of System Architecture
397(1)
Characteristics of Batch Plants
397(5)
Multiproduct Plants
399(2)
Multipurpose Plants
401(1)
Performance Metrics
401(1)
Planning and Scheduling Approaches
402(3)
Single-Stage Multiproduct Plants (Sequencing)
405(1)
Multistage Multiproduct and Multipurpose Plants (Flowshops and Jobshops)
406(1)
Planning Problems
407(1)
How to Handle Uncertainty
408(2)
Rapid Ramp-Up of Specialty Chemicals
408(1)
Critical Issues
409(1)
Possible Solutions
409(1)
Real-Time vs. Offline Applications
410(1)
Planning and Scheduling in the Future
410(1)
Summary
411(8)
Extended Bibliography
412(4)
References
416(3)
Monitoring and Control of Batch Processes
419(44)
Sten Bay Jorgensen
Dennis Bonne
Lars Gregersen
Introduction
420(4)
The Batch Control Problem
422(2)
Batch Operations and Process Modeling
424(11)
Development of an Operations Model
424(1)
Process Modeling
425(1)
Data-Driven Process Modeling
425(1)
Modeling for Monitoring
426(2)
Time-Series Modeling
428(2)
Application-Specific Models
430(2)
Identification
432(1)
Parameter Estimation
432(3)
Monitoring
435(8)
Development of a Monitoring Model
435(1)
Online Estimation of Final Product Concentration
436(1)
Fault Diagnosis
437(3)
Score Plots
440(3)
Batch Control Problem Solutions
443(9)
Batch Control Review
443(2)
Batch Control Problem
445(1)
Closed-Loop Optimizing Control
445(1)
Single-Variable Control Layer
446(1)
Multi- and Single-Variable Control Layers
447(1)
Iterative Learning Control
448(1)
Model Predictive and Iterative Learning Control
448(4)
Results
452(6)
Modeling for Prediction and Control
453(1)
Industrial Pilot Plant
453(1)
Simulated Production of Yeast
454(4)
Discussion and Conclusions
458(5)
References
459(4)
Supply-Chain Management
463(54)
Nilay Shah
Conor M. McDonald
Introduction
464(6)
Definition of Supply Chain
464(1)
Supply-Chain Management
465(1)
Process Industry Supply Chains
466(2)
Different Views of the Process Industry Supply Chain
468(1)
Typical Supply-Chain Problems
469(1)
Supply-Chain Network Design and Strategy
470(11)
Modeling Uncertainty through Scenarios
474(1)
Traditional Approaches
474(1)
The Scenario-Based Approach to Infrastructure Planning
475(1)
An Illustrative Example
475(1)
Data Required by the Scenario-Based Approach
476(1)
Objectives of the Scenario-Based Approach
477(1)
Results Produced by the Scenario-Based Approach
477(1)
A Case Study from the Pharmaceutical Industry
477(2)
An Industrial Application of Network Design
479(1)
Remarks
480(1)
Planning Problems
481(15)
Elements of Supply-Chain Planning
481(1)
Demand Management
482(1)
Forecasting
482(1)
Performance Measurement for Demand Management
482(4)
Beyond ``Passive'' Demand Management
486(1)
Inventory Management
487(1)
Finished Goods Inventory Management
487(1)
Production Campaign Optimization
487(2)
Setting Safety Stock Levels
489(2)
Production and Distribution Planning
491(2)
Planning Models for Production and Distribution
493(2)
Supply-Chain Planning: An Industrial Example
495(1)
Remarks
496(1)
Supply-Chain Operation: Execution and Control
496(9)
Supply-Chain Dynamics, Simulation, and Policy Analysis
497(7)
An Industrial Application
504(1)
Remarks
504(1)
Organizational Systems and IT Issues
505(3)
Tools and Models
506(2)
Performance Measures and Benchmarking
508(2)
Benefits of Modeling Approach to Supply-Chain Management
509(1)
Conclusions and Future Perspectives
510(7)
References
512(5)
PART IV Future of Batch Processing
Concluding Remarks and Future Prospects
517(8)
Ekaterini Korovessi
Andreas A. Linninger
Globalization and Increased Competition
517(4)
Demand for Differentiated Products or New Routes to Known Products
521(1)
Environment, Health, and Safety
522(1)
Regulatory Issues
523(2)
Index 525

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