1st Edition

Process Modelling and Simulation in Chemical, Biochemical and Environmental Engineering

By Ashok Kumar Verma Copyright 2015
    424 Pages 85 B/W Illustrations
    by CRC Press

    424 Pages 85 B/W Illustrations
    by CRC Press

    The use of simulation plays a vital part in developing an integrated approach to process design. By helping save time and money before the actual trial of a concept, this practice can assist with troubleshooting, design, control, revamping, and more. Process Modelling and Simulation in Chemical, Biochemical and Environmental Engineering explores effective modeling and simulation approaches for solving equations. Using a systematic treatment of model development and simulation studies for chemical, biochemical, and environmental processes, this book explains the simplification of a complicated process at various levels with the help of a "model sketch."

    It introduces several types of models, examines how they are developed, and provides examples from a wide range of applications. This includes the simple models based on simple laws such as Fick’s law, models that consist of generalized equations such as equations of motion, discrete-event models and stochastic models (which consider at least one variable as a discrete variable), and models based on population balance.

    Divided into 11 chapters, this book:

    • Presents a systematic approach of model development in view of the simulation need
    • Includes modeling techniques to model hydrodynamics, mass and heat transfer, and reactors for single as well as multi-phase systems
    • Provides stochastic and population balance models
    • Covers the application and development of artificial neural network models and hybrid ANN models
    • Highlights gradients based techniques as well as statistical techniques for model validation and sensitivity analysis
    • Contains examples on development of analytical, stochastic, numerical, and ANN-based models and simulation studies using them
    • Illustrates modeling concepts with a wide spectrum of classical as well as recent research papers

    Process Modelling and Simulation in Chemical, Biochemical and Environmental Engineering includes recent trends in modeling and simulation, e.g. artificial neural network (ANN)-based models, and hybrid models. It contains a chapter on flowsheeting and batch processes using commercial/open source software for simulation.

    Introduction to Modelling and Simulation

    Chemical Processes

    What Is Simulation?




    An Overview of Modelling and Simulation

    Strategy for Simulation

    Approaches for Model Development

    Types of Models

    Types of Equations in a Model and Solution Strategy

    Sources of Equations

    Simplifying Concepts



    Models Based on Simple Laws

    Equation of State

    Henry’s Law

    Newton’s Law of Viscosity

    Fourier’s Law of Heat Conduction

    Fick’s First Law

    Fick’s Second Law

    Film Model

    Two-Film Theory

    Arrhenius’ Law

    Adsorption Isotherms




    Models Based on Laws of Conservation

    Laws of Conservation of Momentum, Mass and Energy

    Laminar Flow

    Boundary Layers: Momentum, Thermal and Diffusional

    Turbulence Models

    Surface Renewal Models at High Flux of Momentum,

    Mass or Heat

    Analogy between Momentum, Mass and Heat Transfer

    Simple Models for Reactors and Bioreactors



    Multiphase Systems without Reaction

    Consideration of a Continuous-Phase Axial Solid Profile in a Slurry Bubble Column

    Single Interface: The Wetted Wall Column

    Stationary Dispersed-Phase Systems (Gas–Solid Systems)

    Moving Dispersed Systems (Gas–Solid Systems):

    Wall-to-bed Heat Transfer in a Fluidised Bed

    Moving Dispersed Systems (Gas–Liquid Systems): Transfer Processes in Bubble Columns

    Regions of Interest Adjacent to the Interface

    More Than One Mechanism of Heat Transfer: Flat-Plate

    Solar Collector

    Introducing Other Effects in Laws of Conservation



    Multiphase Systems with Reaction

    Development of a Model for Multiphase Reactors: Common Assumptions and Methodology

    Packed Bed Reactors

    Trickle Bed Reactors

    Slurry Reactors

    Fluidised Bed Reactors



    Population Balance Models and Discrete-Event Models

    Stochastic Models

    The Complex Nature of the Dispersed Phase

    Population Balance Equation

    Probability Distribution Functions

    Population Balance Models: Simulation Methodology



    Artificial Neural Network–Based Models

    Artificial Neural Networks

    Development of ANN-Based Models

    Applications of ANNs in Chemical Engineering

    Advantages of ANN-Based Models

    Limitations of ANN-Based Models

    Hybrid Neural Networks



    Model Validation and Sensitivity Analysis

    Model Validation: Objective

    Model Validation Methodology

    Sensitivity Analysis

    Global Sensitivity Measures

    Role of Sensitivity Analysis



    Case Studies

    Axial Distribution of Solids in Slurry Bubble Columns: Analytical Deterministic Models

    Conversion for a Gas–Liquid Reaction in a Shallow Bed: A Numerical Model

    Stochastic Model to Predict Wall-to-Bed Mass Transfer in Packed and Fluidised Beds

    Artificial Neural Network Model: Heat Transfer in Bubble Columns



    Simulation of Large Plants

    Interconnecting Sub-Models

    Simulation Study

    Flowsheeting and Continuous Processes

    Short-Cut Methods and Rigorous Methods

    Dynamic Simulation

    Batch Processes



    Appendix A

    Appendix B



    Ashok Kumar Verma is a professor in the Department of Chemical  Engineering and Technology at the Indian Institute of Technology (Banaras Hindu University) Varanasi.  He holds a BSc from Allahabad University, a BE in chemical engineering from University of Roorkee (now Indian Institute of Technology, Roorkee), an ME in chemical engineering from the Indian Institute of Sciences, Bangalore, and a PhD in chemical engineering from the Indian Institute of Technology, Kanpur. Dr. Verma joined the Institute of Technology, Banaras Hindu University, Varanasi in 1984. Dr. Verma has authored or co-authored numerous papers in journals, and national and international proceedings.

    "Overall, the material covered is good. The need for mathematical modeling and simulation, the basic steps involved in the development of mathematical modeling and simulation, and validation of the models are highlighted a systematic way. For large number of situations, the associated mathematical model equations with the relevant boundary conditions/initial conditions are given. The analytical solutions, wherever possible, are given. For situations requiring numerical solutions, MATLAB® programs are given. There is a good presentation of the subject materials. The book can be recommended for two courses: one at the undergraduate level (chapters 1 to 4 and 9), and one at the post-graduate level (chapters 5 to 11)."
    —Dr. M. Chidambaram, Indian Institute of Technology Madras

    "A thorough book on modeling and simulation for different engineering fields that is augmented by case studies from a wide range of applications."
    —Jadran Vrabec, Mechanical Engineering, University of Paderborn, Germany

    "The strength of the book is the diversity of topics covered starting with models based on simple laws and conservation laws illustrated for multiphase systems without and with reaction. …The whole picture of process modeling and simulation ends with the last chapter on simulation of large plants."
    —Alirio E. Rodrigues, The Faculdade de Engenharia da Universidade do Porto, Portugal