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| Preface | |
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| Introduction | |
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| Organization | |
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| Algebraic Equations | |
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| Process Simulation | |
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| Differential Equations | |
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| Appendices | |
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| Equations of State | |
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| Equation of state - mathematical formulation | |
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| Solving equations of state Using Excel | |
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| Solution using 'Goal seek' | |
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| Solution using 'Solver' | |
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| Example of a chemical engineering problem solved using 'Goal Seek' | |
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| Solving equations of state using MATLAB(r) | |
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| Example of a chemical engineering problem solved using MATLAB | |
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| Another example of a chemical engineering problem solved using MATLAB | |
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| Equations of state with Aspen Plus | |
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| Specific volume of a mixture | |
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| Chapter summary | |
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| Problems | |
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| Vapor-liquid Equilibrium | |
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| Flash and phase separation | |
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| Isothermal flash - development of equations | |
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| Example using Excel | |
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| Thermodynamic parameters | |
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| Example using MATLAB | |
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| Example using Aspen Plus | |
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| Non-ideal liquids - test of thermodynamic model | |
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| Chapter summary | |
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| Problems | |
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| Chemical Reaction Equilibrium | |
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| Chemical equilibrium expression | |
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| Example of hydrogen for fuel cells | |
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| Solution with Excel | |
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| Solution using MATLAB | |
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| Chemical equilibria with two or more equations | |
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| Multiple equations, few unknowns with MATLAB | |
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| Method 1 using the 'fsolve' command | |
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| Method 2 using the 'fminsearch' function | |
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| Variations in MATLAB | |
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| Chemical Equilibria with Aspen Plus | |
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| Chapter summary | |
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| Problems | |
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| Mass Balances with Recycle Streams | |
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| Mathematical formulation | |
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| Example without recycle | |
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| Example with recycle; comparison of sequential and simultaneous solution methods | |
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| Example of process simulation using Excel for simple mass balances | |
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| Example of process simulation using Excel including chemical reaction equilibrium | |
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| Example of process simulation using Excel including phase equilibrium | |
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| Chapter summary | |
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| Class exercises | |
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| Class discussion | |
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| Problems | |
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| Simulation of Mass Transfer Equipment | |
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| Thermodynamics | |
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| Example: multicomponent distillation with shortcut methods | |
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| Mathematical development | |
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| Example: multicomponent distillation with rigorous plate-to-plate methods | |
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| Example: packed bed absorption | |
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| Example: gas plant product separation | |
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| Chapter summary | |
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| Class exercise | |
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| Problems (using Aspen Plus) | |
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| Process Simulation | |
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| Model library | |
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| Example: Ammonia process | |
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| Utility costs | |
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| Convergence hints | |
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| Optimization | |
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| Chapter summary | |
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| Class exercise | |
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| Problems | |
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| Chemical Reactors | |
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| Mathematical formulation of reactor problems | |
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| Example: plug flow reactor and batch reactor | |
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| Example: continuous stirred tank reactor (CSTR) | |
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| Using MATLAB to solve ordinary differential equations | |
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| Simple example | |
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| Use of the 'global' command | |
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| Passing parameters | |
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| Example: isothermal plug flow reactor | |
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| Example: non-isothermal flow reactor | |
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| Using FEMLAB to solve ordinary differential equations | |
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| Simple example | |
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| Example: isothermal plug flow reactor | |
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| Example: non-isothermal flow reactor | |
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| Reactor problems with mole changes and variable density | |
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| Chemical reactors with mass transfer limitations | |
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| Continuous stirred tank reactors (CSTR) | |
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| Solution using Excel | |
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| Solution using MATLAB | |
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| CSTR with multiple solutions | |
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| Solutions to multiple equations using MATLAB | |
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| Transient continuous stirred tank reactors (CSTR) | |
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| Chapter summary | |
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| Problems | |
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| Transport Process in One Dimension | |