by Bruce A. Finlayson
Introduction to Chemical Engineering Computing gives readers the professional tools they need to solve real-world problems.
Features:
- Equations of state
- Vapor-liquid and chemical reaction equilibria
- Mass balances with recycle streams
- Mass transfer equipment
- Process simulation
- Chemical reactors
- Transfer processes in 1D
- Fluid flow in 2D and 3D
- Convective diffusion equations in 2D and 3D
Contents
Introduction
- Organization
- Algebraic Equations
- Process Simulation
- Differential Equations
Equations of State
- Equation of state - mathematical formulation
- Solving equations of state Using Excel
- Solution using 'Goal seek'
- Solution using 'Solver'
- Example of a chemical engineering problem solved using 'Goal Seek'
- Solving equations of state using MATLAB(r)
- Example of a chemical engineering problem solved using MATLAB
- Another example of a chemical engineering problem solved using MATLAB
- Equations of state with Aspen Plus
- Specific volume of a mixture
Vapor-liquid Equilibrium
- Flash and phase separation
- Isothermal flash - development of equations
- Example using Excel
- Thermodynamic parameters
- Example using MATLAB
- Example using Aspen Plus
- Non-ideal liquids - test of thermodynamic model
Chemical Reaction Equilibrium
- Chemical equilibrium expression
- Example of hydrogen for fuel cells
- Solution with Excel
- Solution using MATLAB
- Chemical equilibria with two or more equations
- Multiple equations, few unknowns with MATLAB
- Method 1 using the 'fsolve' command
- Method 2 using the 'fminsearch' function
- Variations in MATLAB
- Chemical Equilibria with Aspen Plus
Mass Balances with Recycle Streams
- Mathematical formulation
- Example without recycle
- Example with recycle; comparison of sequential and simultaneous solution methods
- Example of process simulation using Excel for simple mass balances
- Example of process simulation using Excel including chemical reaction equilibrium
- Example of process simulation using Excel including phase equilibrium
Simulation of Mass Transfer Equipment
- Thermodynamics
- Example: multicomponent distillation with shortcut methods
- Mathematical development
- Example: multicomponent distillation with rigorous plate-to-plate methods
- Example: packed bed absorption
- Example: gas plant product separation
Process Simulation
- Model library
- Example: Ammonia process
- Utility costs
- Convergence hints
- Optimization
Chemical Reactors
- Mathematical formulation of reactor problems
- Example: plug flow reactor and batch reactor
- Example: continuous stirred tank reactor (CSTR)
- Using MATLAB to solve ordinary differential equations
- Simple example
- Use of the 'global' command
- Passing parameters
- Example: isothermal plug flow reactor
- Example: non-isothermal flow reactor
- Using FEMLAB to solve ordinary differential equations
- Simple example
- Example: isothermal plug flow reactor
- Example: non-isothermal flow reactor
- Reactor problems with mole changes and variable density
- Chemical reactors with mass transfer limitations
- Continuous stirred tank reactors (CSTR)
- Solution using Excel
- Solution using MATLAB
- CSTR with multiple solutions
- Solutions to multiple equations using MATLAB
- Transient continuous stirred tank reactors (CSTR)
Transport Process in One Dimension
- Applications in chemical engineering - mathematical foundation
- Heat transfer
- Diffusion and reaction
- Fluid flow
- Unsteady heat transfer
- Example: Heat transfer in a slab
- Example: Reaction and diffusion
- Parametric solution
- Flow of a Newtonion fluid in a pipe
- Example: Flow of a Non-Newtonion in a pipe
- Example: Transient Heat Transfer
- Example: Liinear Adsorption
- Example: Chromatography
Fluid Flow in Two and Three Dimensions
- Mathematical foundation of fluid flow
- Navier-Stokes equation
- Non-Newtonian fluid
- Example: Entry flow in a pipe
- Example: Entry flow of a non-Newtonian fluid
- Example: Flow in microfluidic devices
- Example: Turbulent flow in a pipe
- Example: Start-up flow in a pipe
- Example: Flow through an orifice
- Example: Flow in a serpentine mixer
- Boundary conditions
- Non-dimensionalization
Convective Diffusion Equation in Two and Three Dimensions
- Convective diffusion equation
- Non-dimensional equations
- Boundary conditions
- Example: heat transfer in two dimensions
- Example: heat conduction with a hole
- Example: dispersion in microfluidic devices
- Effect of Peclet number
- Example: concentration-dependent viscosity
- Example: viscous dissipation
- Example: chemical reactor
- Example: wall reactions
- Example: mixing in a serpentine mixer
Index