Matlab-Based Computations of Chemical Engineering Principles

Explore chemical engineering principles using MATLAB for data analysis, visualization, and solving intricate problems MATLAB-based Computations of Chemical Engineering Principles is an in-depth textbook that enables readers to transform classical chemical engineering principles and calculations into MATLAB-based calculations. Throughout the text, problems are solved through two methods: manually (i. e. , classical) and via implementing MATLAB code (i. e. , digital or software-assisted), with a focus on the latter when solving problems involving multiple steps or complex solutions, or when working with large databases, such as dealing with physical properties of compounds. Seven appendices contain large-size MATLAB codes. In general, small-size MATLAB code is kept within the relevant chapter section. All codes have been verified using the MATLAB platform. End-of-chapter problems reinforce learning by students. The textbook includes problems and solutions related to concepts including:

• System units and measurement, process variables measurement, and measurement variations and uncertainty
• Types of errors involved in measurements and energy balance applications for closed and open (flow) systems
• Total and component material balances, chemical reaction stoichiometry, conversion, yield, selectivity, and chemical equilibrium
• Properties of pure substances and mixtures as well as vapor liquid equilibrium for single and multi-component mixtures
• Equations of state for gases

Comprehensive in scope with a plethora of helpful learning aids included throughout, this is a perfect textbook for sophomore courses titled Chemical Engineering Principles, Chemical Engineering Stoichiometric Calculations, Fundamentals of Chemical Engineering, Introduction to Chemical Engineering, or Essentials of Chemical Engineering.

Acknowledgments xi
About the Companion Website xiii
1 What is Chemical Engineering? 1
1. 1 Chemical Engineering Industrial Processes 1
1. 2 What Chemical Engineers Can Do 11
1. 2. 1 What is a Duty? 11
1. 2. 2 What is a Task? 11
1. 3 Duties and Tasks Tailored to a Chemical Engineer's Job 11
1. 4 Introduction to MATLAB 17
1. 4. 1 What is MATLAB? 17
1. 4. 2 Benefits of Using MATLAB for Chemical Engineers 17
1. 4. 3 Setting up MATLAB 17
1. 4. 4 The MATLAB Graphic User Interface (GUI) 18
1. 5 Basic MATLAB Operations 19
1. 5. 1 Numbers, Variables, and Data Types 19
1. 5. 2 Performing Basic Mathematical Operations 20
1. 6 Built-in Mathematical Functions 21
1. 7 Creating and Manipulating Vectors 23
1. 7. 1 Creating Row Vectors 23
1. 7. 2 Creating Column Vectors 23
1. 7. 3 Accessing Elements 24
1. 7. 4 Vectorized Operations 25
1. 7. 5 Common Vector Operations 25
1. 8 Creating and Manipulating Matrices 25
1. 8. 1 Indexing in Matrices: Accessing Elements with Precision 25
1. 8. 2 Matrix Operations 26
1. 9 Introduction to Scripts and Functions 28
1. 10 Data Analysis and Visualization 29
1. 11 Data Manipulation Techniques 31
1. 12 Creating Basic Plots (Scatter Plot and Line Plot) 33
End of Chapter Problems 36
2 Measurement, Analysis, and Presentation of Engineering Data 41
2. 1 Dimensions and Units 41
2. 2 Units Conversion 42
2. 3 Systems of Units 43
2. 4 MATLAB for SI/AE Conversion 45
2. 5 Force and Weight 47
2. 6 Accuracy and Precision: A Closer Look 49
2. 6. 1 Accuracy 49
2. 6. 2 Precision 50
2. 6. 3 Measurements Scenarios of Accuracy and Precision 50
2. 7 Mystery of Errors: Types and Their Impact 51
2. 7. 1 Random (Indeterminate) Errors 51
2. 7. 1. 1 Characteristics of Random Errors 51
2. 7. 2 Systematic Errors (Determinate Errors) 52
2. 7. 2. 1 Systematic Errors Based on Source (Origin) 52
2. 7. 2. 2 Constant Systematic Errors 52
2. 7. 2. 3 Proportional Systematic Errors 52
2. 7. 3 Gross Errors 53
2. 8 Significant Figures: Rules of Multiplication, Addition, and Rounding Off Numbers 54
2. 8. 1 Significant Figures 54
2. 8. 2 Rule for Multiplication and Division of Quantities with Different Significant Figures 56
2. 8. 3 Rule for Addition and Subtraction of Quantities with Different Significant Figures 56
2. 8. 4 Rounding Off Numbers Ending in 5 57
2. 9 Dimensional Homogeneity and Dimensionless Quantities 57
2. 10 Chemical Process Data: Measurement, Analysis, and Presentation 58
2. 10. 1 Random Variations in a Process Variable Measurement 59
2. 10. 2 MATLAB for Sample Statistics: Mean (X), Standard Deviation (S), and Range (R) 61
2. 10. 3 Relative S (Coefficient of Variation) 68
2. 10. 4 MATLAB Two-point Linear Interpolation 69
2. 10. 5 MATLAB Linear Regression 71
2. 10. 5. 1 Method of Least Squares 71
End of Chapter Problems 86
Reference 93
3 Precision Measurement: Instruments for Process Variables 95
3. 1 Mass and Volume 95
3. 1. 1 MATLAB Code for Searching and Presenting Density of Liquids and Solids 96
3. 2 Mass and Volumetric Fluid Flow Rate 99
3. 3 Fluid Flow Rate Measurement 100
3. 3. 1 Rota Meter 100
3. 3. 2 Differential Pressure Flow Meters 101
3. 3. 2. 1 Orifice Meter 101
3. 3. 2. 2 Venturi Meter 102
3. 3. 2. 3 Flow Nozzle 103
3. 3. 3 Positive Displacement Flow Meters 103
3. 3. 4 Mechanical Flow Meters 104
3. 3. 4. 1 Turbine Flow Meter 105
3. 3. 4. 2 Nutating Disk Flow Meter 105
3. 3. 5 Other Types of Flow Meters 105
3. 3. 5. 1 Electromagnetic Flow Meter 106
3. 3. 5. 2 Coriolis Flow Meter 106
3. 3. 5. 3 Ultrasonic Flow Meter 107
3. 3. 5. 4 Vortex Flow Meter 107
3. 4 Chemical Composition 108
3. 4. 1 Moles and Molecular Weight 108
3. 4. 2 Mass and Mole Fractions and Average Molecular Weight 110
3. 4. 3 MATLAB Code for Conversion from Mass % to Molar % Composition 113
3. 4. 4 MATLAB Code for Conversion from Molar % to Mass % Composition 114
3. 4. 5 Concentration 115
3. 4. 6 Parts per Million and Parts per Billion 116
3. 4. 7 Concentration Assessment 116
3. 5 Pressure 117
3. 5. 1 Fluid Pressure and Hydrostatic Head 118
3. 5. 2 Atmospheric Pressure, Absolute Pressure, and Gauge Pressure 119
3. 5. 3 Fluid Pressure Measurement 119
3. 5. 4 Fluid Pressure Measuring Devices 119
3. 5. 4. 1 Manometers 119
3. 5. 4. 2 Mechanical Gauges 121
3. 5. 4. 3 Electronic Pressure Transducers 124
3. 5. 4. 4 Selection Criteria 126
3. 6 Temperature 129
3. 6. 1 Temperature Measuring Devices 131
3. 6. 1. 1 Liquid-in-glass Thermometers 131
3. 6. 1. 2 Resistive Temperature Devices (RTDs) 133
3. 6. 1. 3 Thermocouples 134
3. 6. 1. 4 Bimetallic Strips 135
3. 6. 1. 5 Infrared (IR) Thermometers 136
3. 6. 1. 6 Thermal Imaging Cameras 137
3. 6. 1. 7 Selection Criteria 138
End of Chapter Problems 139
Reference 150
4 Principles of Material Balance 151
4. 1 Process Classification 151
4. 2 The Balance Concept 152
4. 2. 1 Introducing the Balance Concept: Mastering Our Measure 152
4. 2. 2 The General Balance Equation 153
4. 2. 3 Balances on Continuous Steady-State Chemical Processes 156
4. 2. 4 Integral Balances on Batch Chemical Processes 157
4. 2. 5 Integral Balances on Semi-batch Chemical Processes 158
4. 3 Material Balance Calculations 160
4. 3. 1 Flowcharts 160
4. 3. 2 Balancing a Process 163
4. 3. 3 Degree-of-Freedom Analysis 165
4. 3. 4 General Procedure for Single-Unit Process Material Balance Calculations 166
4. 3. 5 MATLAB for Solution of Algebraic Equations 168
4. 4 Chemical Reaction Stoichiometry 172
4. 4. 1 Stoichiometry 173
4. 4. 2 Limiting and Excess Reactants, Fractional Conversion, and Extent of Reaction 174
4. 4. 3 Chemical Equilibrium and Equilibrium Constant 179
4. 4. 4 MATLAB for Finding the Roots of a Polynomial or any f(x) =0 181
4. 4. 5 Multiple Reactions: Yield and Selectivity 189
4. 4. 6 Overall and per-Pass Reactor Conversion: Recycle Loop 190
End of Chapter Problems 194
5 Single-Phase Systems 205
5. 1 Solids and Liquids 205
5. 1. 1 Data and Models for Solid Density 206
5. 1. 2 Data and Models for Liquid Density 208
5. 1. 3 Pressure Effects on Densities of Solids 209
5. 1. 4 Pressure Effects on Densities of Liquids 209
5. 1. 5 Isothermal Compressibility of Solids and Liquids 210
5. 1. 5. 1 Isothermal Compressibility of Solids 211
5. 1. 5. 2 Isothermal Compressibility of Liquids 211
5. 2 Temperature Effects on Densities of Solids 212
5. 3 Temperature Effects on Densities of Liquids 213
5. 3. 1 Isobaric Thermal Expansion of Solids and Liquids 214
5. 3. 1. 1 Isobaric Thermal Expansion Coefficient of Solids 214
5. 3. 1. 2 Isobaric Thermal Expansion Coefficient of Liquids 216
5. 3. 2 Density of a Solid Solution 217
5. 3. 3 Density of a Liquid Mixture 220
5. 3. 3. 1 Simple Calculations 220
5. 3. 3. 2 Factors Affecting Non-ideality 220
5. 3. 3. 3 Predicting Density 220
5. 3. 4 Real Mixtures or Solutions 221
5. 4 Gases 223
5. 4. 1 Kinetic Theory of Gases 223
5. 4. 2 The Ideal Gas Equation of State 224
5. 4. 3 Ideal Gas Mixtures 227
5. 5 Real Gases 228
5. 5. 1 Virial Equation of State 228
5. 5. 2 Cubic Equations of State (E. o. S.) 230
5. 5. 3 Van der Waals (vdW) Equation of State 230
5. 5. 4 Peng-Robinson (P-R) Equation of State 234
5. 5. 5 Peng-Robinson-Stryjek-Vera (P-R-S-V) Equation of State 234
5. 5. 6 Redlich-Kwong (RK) Equation of State 235
5. 5. 7 Soave-Redlich-Kwong (SRK) Equation of State 236
5. 5. 8 The Compressibility Factor Equation of the State 236
5. 5. 9 Kay's Rule for Estimating Pseudo-critical Properties Mixtures 238
End of Chapter Problems 239
6 Multiphase, Multicomponent Systems 249
6. 1 Equilibrium: A Balancing Act in the Universe 249
6. 2 Thermodynamic Properties of Pure Fluids 253
6. 3 Clapeyron Equation 255
6. 4 Antoine Equation 257
6. 5 A Volatile Versus Less Volatile Substance 259
6. 6 MATLAB Code for Estimating the Saturation Pressure or Temperature for a Pure Component 260
6. 7 The Gibbs Phase Rule 261
6. 8 Vapor-Liquid Equilibrium (VLE) 265
6. 9 Bubble-point and Dew-point P/T Calculations 267
6. 10 Henry's Law 277
6. 11 Humidification/Dehumidification Systems 281
6. 12 Levels of Air Saturation by Water Vapor 282
6. 13 Dew-point Estimation 284
6. 14 Solid Solubility 289
6. 14. 1 What is Solid Solubility? 289
6. 14. 2 Factors Affecting Solid Solubility 289
6. 15 Salting In and Salting Out 290
6. 16 The Maximum Solubility of a Solid Solute in a Liquid 291
6. 17 Hydrated Salts 295
6. 18 Colligative Properties 298
6. 18. 1 Vapor Pressure Depression 298
6. 18. 2 Boiling Point Elevation 299
6. 18. 3 Freezing Point Depression 301
6. 18. 4 Osmotic Pressure 302
6. 19 Liquid-Liquid Equilibrium: Extraction 303
6. 20 Adsorption Equilibrium Isotherms 308
6. 20. 1 Langmuir Model 308
6. 20. 2 Freundlich Model 309
6. 20. 3 Applications of Adsorption Isotherms 310
End of Chapter Problems 311
References 318
7 Energy and Energy Balance 319
7. 1 Importance of Energy Balance 319
7. 2 What is Internal Energy ( )? 320
7. 3 Total K. E. (m( ­ 2 /2)) 321
7. 4 Total Potential Energy (mgZ) 321
7. 5 Relativity of Energy Terms 322
7. 6 System (Control Mass) and Control Volume 322
7. 6. 1 System (Control Mass) 322
7. 6. 2 Control Volume (CV) 323
7. 6. 3 System and Surroundings 323
7. 6. 4 A Closed, Open, and Isolated System 324
7. 6. 5 Heat and Work: Energy on the Move 325
7. 7 The First Law of Thermodynamics (Closed System) 325
7. 8 Heat Capacity of a Solid or Liquid 328
7. 8. 1 MATLAB for Sensible Heat Calculation 329
7. 8. 1. 1 Solids 329
7. 8. 1. 2 Liquids 330
7. 8. 2 Heat Capacity of a Gas or Vapor 331
7. 9 Internal Energy and Enthalpy Relationship 333
7. 9. 1 Heat Capacities of an Ideal Gas 333
7. 9. 2 A Closed System Involving Ideal Gas Heating 334
7. 9. 3 MATLAB Code for an Iso-choric Ideal Gas Process 337
7. 9. 4 MATLAB Code for an Iso-baric Ideal Gas Process 342
7. 9. 5 MATLAB Code for an Iso-thermal Ideal Gas Process 344
7. 9. 6 MATLAB Code for an Adiabatic Ideal Gas Process 348
7. 9. 7 The Latent Heat of a Substance 353
7. 9. 8 MATLAB Code for Water/Steam Thermodynamic Properties Calculations 356
7. 10 General Energy Balance 358
7. 10. 1 Common Types of Work in Chemical Applications 359
7. 11 Simple Forms of General Energy Balance 360
7. 11. 1 Bernoulli's Equation (Energy Balance) 361
7. 11. 2 Applications of Energy Balance on Flow Systems 362
7. 11. 3 MATLAB Code for Ideal Gas Pipe Flow with Heating 364
7. 12 Power and Power Units 367
End of Chapter Problems 369
Appendix A Units Conversion Tables 377
Appendix B Liquid and Solid Densities + Conversion of Mass/Mole Basis 381
Appendix C MATLAB Code for Cubic Equations of State (E. o. S.) 395
Appendix D Antoine's Equation 405
Appendix E Bubble-point and Dew-point P/T Calculations for Ideal, Binary Mixtures 409
Appendix F Plot of Bubble-point and Dew-point P/T for Ideal Binary Mixtures 417
Appendix G Henry's Law and Magnus Law 425
Appendix H Sensible Heat and Latent Heat Calculations 429
Index 437