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Table of contents

Preface
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Chapter 1 Fundamentals..........................Error: Reference source not found
1.1 Introduction.....................................................Error: Reference source not found
1.2 Incentives for process modeling.....................Error: Reference source not found
1.3 Systems.............................................................Error: Reference source not found
1.3.1 Classification based on thermodynamic principles. Error: Reference source not
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1.3.2 Classification based on number of phases.....Error: Reference source not found
1.4 Classification of Models..................................Error: Reference source not found
1.5 State variables and state equations...............Error: Reference source not found
1.6 Classification of theoretical models...............Error: Reference source not found
1.6.1 Steady state VS. unsteady state......................Error: Reference source not found
1.6.2 Lumped versus. distributed parameters........Error: Reference source not found
1.6.3 Linear Vs Non-linear......................................Error: Reference source not found
1.6.4 Continuous VS discrete..................................Error: Reference source not found
1.6.5 Deterministic VS probabilistic models..........Error: Reference source not found
1.7 Building steps for a mathematical model......Error: Reference source not found
1.8 Fundamental laws...........................................Error: Reference source not found
1.8.1 Conservation Law.......................................... Error: Reference source not found
1.8.1 Total mass balance......................................... Error: Reference source not found
1.8.2 Component balance........................................Error: Reference source not found
1.8.3 Momentum balance........................................Error: Reference source not found
1.8.4 Energy balance...............................................Error: Reference source not found
1.9 Microscopic balance:...................................... Error: Reference source not found
1.10 Macroscopic balance:................................... Error: Reference source not found
1.11 Transport rates.............................................. Error: Reference source not found

1.11.1 Mass Transport.............................. Error: Reference source not found


1.11.2 Momentum transport....................................Error: Reference source not found
1.12 Thermodynamic relations............................ Error: Reference source not found
1.13 Phase Equilibrium........................................ Error: Reference source not found
1.14 Chemical kinetics.......................................... Error: Reference source not found
1.15 Control Laws................................................. Error: Reference source not found
1.16 Degrees of Freedom...................................... Error: Reference source not found
1.17 Model solution...............................................Error: Reference source not found
1.18 Model validation........................................... Error: Reference source not found

Chapter 2 Examples of Mathematical Models for Chemical Processes


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2.1 Examples of Lumped Parameter Systems........Error: Reference source not found
2.1.1 Liquid Storage Tank.......................................Error: Reference source not found
2.1.2 Stirred Tank Heater........................................ Error: Reference source not found
2.1.3 Isothermal CSTR............................................Error: Reference source not found
2.1.4 Gas-Phase Pressurized CSTR........................ Error: Reference source not found
2.1.5 Non-Isothermal CSTR................................... Error: Reference source not found

2.1.6 Mixing Process...............................................Error: Reference source not found


2.1.6 Heat Exchanger..............................................Error: Reference source not found
2.1.9 Single Stage Heterogeneous systems.............Error: Reference source not found
2.1.10 Multistage Heterogeneous systems..............Error: Reference source not found
2.2 Examples of Distributed Parameter Systems.........Error: Reference source not
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2.2.1 Liquid Flow in a Pipe.....................................Error: Reference source not found
2.2.2 Velocity profile inside a pipe..........................Error: Reference source not found
2.2.3 Diffusion with chemical reaction in a slab catalyst. Error: Reference source not
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2.2.4 Temperature profile in a heated cylindrical Rod.....Error: Reference source not
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2.2.5 Isothermal Plug Flow Reactor........................Error: Reference source not found
2.2.6 Non-Isothermal Plug-Flow reactor................Error: Reference source not found
2.2.7 Heat Exchanger: Distributed parameter model.......Error: Reference source not
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2.2.8 Mass exchange in packed column..................Error: Reference source not found

Chapter 3 Equations of Change..............Error: Reference source not found


3.1 Total Mass balance..............................................Error: Reference source not found
3.2 Component Balance Equation....................... Error: Reference source not found
3.3 Momentum Balance........................................Error: Reference source not found
3.4 Energy balance................................................Error: Reference source not found
3.5 Conversion between the coordinates.............Error: Reference source not found
3.5.1 Balance Equations in Cartesian Coordinates. Error: Reference source not found
3.5.2 Balance Equations in Cylindrical Coordinates........Error: Reference source not
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3.5.3 Balance Equations in Spherical Coordinates. Error: Reference source not found
3.6 Examples of Application of Equations of change...Error: Reference source not
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3.6.1 Liquid flow in a Pipe......................................Error: Reference source not found
3.6.2 Diffusion with Chemical Reaction in a Slab Catalyst...Error: Reference source
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3.6.3 Plug Flow Reactor..........................................Error: Reference source not found
3.6.4 Energy Transport with Heat Generation........Error: Reference source not found
3.6.5 Momentum Transport in a Circular Tube.......Error: Reference source not found
3.6.6 Unsteady state Heat Generation.....................Error: Reference source not found
3.6.7 Laminar Flow Heat Transfer with Constant Wall Temperature Error: Reference
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3.6.8 Laminar Flow and Mass Transfer..................Error: Reference source not found

Problems:...................................................Error: Reference source not found


INDEX
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List of Figures
Figure 1-1 system and its boundary.....................................................................................3
Figure 1-2 system and its paprmeters..................................................................................8
Figure 1-3 Cartesian coordinates.......................................................................................10
Figure 1-4 Cylindrical coordinates....................................................................................11
Figure 1-5 Spherical coordinates.......................................................................................11
Figure 1-6 Momentum transfer between two parallel plates.............................................13
Figure 1-7 Equlibrium at the interface...............................................................................18
Figure 2-1 Liquid Storage Tank.........................................................................................29
Figure 2-2 Stirred Tank Heater..........................................................................................32
Figure 2-3 General Macroscopic system...........................................................................32
Figure 2-4 Isothermal CSTR.............................................................................................37
Figure 2-5 Autocatalytic reaction in a CSTR....................................................................39
Figure 2-6Gas pressurized reacto......................................................................................40
Figure 2-7 Non-isothermal CSTR.....................................................................................42
Figure 2-8 Jacketed Non-isothermal CSTR.......................................................................44
Figure 2-9 Mixing Process.................................................................................................45
Figure 2-10 Shell-and-tube heat exchanger.......................................................................48
Figure 2-11 Shell-and-tube heat exchanger with heating steam........................................51
Figure 2-12 Multicomponent flash drum...........................................................................53
Figure 2-13 Two phase reactor..........................................................................................55
Figure 2-14 Reaction with Mass Transfer.........................................................................58
Figure 2-15 Single stage liquid-liquid Extraction Unit.....................................................62
Figure 2-16 Multi-stage liquid-liquid Extraction Unit......................................................62
Figure 2-17 N-stages Absorber tower................................................................................64
Figure 2-18 Distillation column.........................................................................................66
Figure 2-19 Distillation Column Stages............................................................................70
Figure 2-20 Liquid flow in a pipe......................................................................................72
Figure 2-21 Velocity profile for a laminar flow in a pipe..................................................73
Figure 2-22 diffusion with chemical reaction inside a slab catalyst..................................75
Figure 2-23 Temperature Distribution In a cylinderical rod..............................................76
Figure 2-24 Isothermal Plug flow reactor..........................................................................78

Figure 2-25 Non-isothermal plug flow reactor..................................................................80


Figure 2-26 Packed column...............................................................................................84
Figure 3-1 Total Mass balance in cartesian coordinates..................................................102
Figure 3-2 Mass balance of component A.......................................................................104
Figure 3-3 Balance of the x-component of the momentum.............................................107
Figure 3-4 Energy Balance in cartesian coordinates........................................................111
Figure 3-5 Cylinderical solid rod.....................................................................................118
Figure 3-6 heat transfer with constant wall temperature.................................................121

List of Tables
Table 1-1: One-dimensional Transport laws for molecular scale.....................................15

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