Introduction to Chemical Engineering Computing, 2 nd edition, Bruce A. Finlayson, Wiley (2012)
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1 Introduction to Chemical Engineering Computing, 2 nd edition, Bruce A. Finlayson, Wiley (2012) The following web sites can be used to obtain material from Wiley. It includes the keys to the problems (useful to your Teaching Assistant), and the figures in the book (useful to you when you go to class). Go here to learn what is in the book: and here to fill out the form Program Objectives. List of problems, which program they use, and what students can learn Chapter 2 Excel: example, 3, 4, 5 MATLAB: examples, 4, 5 Aspen: examples, 2, 9 Program not specified: 6, 7, 8 Compare equations of state: 2, 4, 5, 7, 8, 9 Compare Excel and MATLAB on same problem: 1 Compare those with Aspen Plus: 2 Program Newton-Raphson method: 10, 11 Chapter 3 Mainly Aspen Plus; Excel and MATLAB are used in one example and 1 Any program: 2 Aspen Plus: example, 3, 5-13 Compare predictions by different equations of state: example, 8-10, 13 Different equations of state: Peng-Robinson: 5, 6 SRK: 5, 6, 13 RKSWS: 7
2 NRTL: 9, 13 UNIQUAC: 10, 11, 13 Wilson: examples, 10, 12 Compare predictions with data: examples, 7, Theory of equations: 4 Correlation in range of desired use: 14, 15 Newton-Raphson: 16, 17 Chapter 4 Excel: example, 1, 2, 7, 12 MATLAB: example, 1, 2, 7, 13, 14 Aspen Plus: example, 3-11 Compare Excel, MATLAB: 1, 2 Compare Aspen Plus with 1 and 2: 3, 4 Compare Excel, MATLAB, Aspen Plus: 7, (10, 12, and 13) Compare Excel and Aspen Plus: (11, 14) Multiple reactions: examples, 5, 6, 10, 11 Newton-Raphson: 15, 16 Chapter 5 Problems 1-8 use either Excel or Aspen Plus or both, and involve iteration with recycle streams Only Aspen Plus is used for Problem 9
3 Chapter 6 All examples and problems use Aspen Plus. Multi-component distillataion, short-cut: examples, 1, 3-5, 9, 10 Multi-component rigorous method: example, 2-5, 9, 11 Compare DSTWU & RadFrac (1,2), 3, 4, 5, 9 Packed bed: example, 7, 8 Sensitivity: example of equilibrium reactor Design specs: example of equilibrium reactors Thermodynamic choices RKS first example, short-cut distillation Chao-Seader second example, rigorous distillation; gas plant Wilson: 9 Peng-Robinson: 10, 11 NRTL: 10, 11 Comparison to NIST database: 10 Economics of distillation column: 6 Chapter 7 All problems are solved with Aspen Plus. Flowsheets, convergence, test convergence, 2-8, 10, 11 Test thermo from NIST database: 9 Costs, optimization, control: examples IGCC: 9, 10 Biodiesel: 12 Corn stover to ethanol: Derivation: 1
4 Chapter 8 Study MATLAB Comsol Aspen Excel Steady Plug examples, 1, 2, 6, 7, 8, 11, 12, 16, examples, 1, flow 17, 19, 20 2, 16 example 22 examples, 3, 4, 5, Steady CSTR 10 ODE 14, 18 examples, 13, 15, CSTR 21 Multiple steady states and transient CSTRs: examples, 10, 13, 15 Stiff problems as temperature increases: examples, 15, 17 Mole changes: example Mass transfer: example and 9 example, 3, 4, 5 Newton-Raphson method for algebraic equations: 21 Integrate ODEs with Euler and Runge-Kutta methods: 19, 22
5 Chapter 9 Comsol: examples, 1-19, 21-22, 24-29, 34 MATLAB: examples, 2, 10, 12, 15, 19, 20 Excel, using numerical methods: Most of the problems in Chapter 9 use Comsol. There are some that are picked to specifically compare methods. 1. The pipe flow example of Eq. (9.26) is solved in the text using Comsol; problem 9.31 uses Excel with the finite difference method. 2. The transient heat transfer problem of Eq. (9.28) is solved in the text using both Comsol and MATLAB. Problem 9.32 uses Excel with the finite difference method in space and the Euler method in time. 3. The Boltzmann equation is solved in Problem 9.17 using Comsol and in Problem 9.30 using Excel. In Excel this involves a circular reference. 4. Problems comparing Comsol and MATLAB are: a. The example of Eq. (9.22) is solved with both Comsol and MATLAB. b. 9.2 and 9.10, reaction-diffusion c. 9.12, transient heat transfer d. 9.15, electrical field e. 9.19, including the shear stress Effect of a viscosity that depends on shear rate: examples and problems 20, 23, 25 Strong convection: chromatography example, 26 Effect of discretization: example of non-newtonian flow Effect of linearizing a non-linear function: 15, 17, 18, 27 Effect of inertia in spinning: 21, 22 Semiconductor: 16 Shear stress in flow: 19 Multiple solutions and stability: 4, 8, 9 Parametric solutions: Example of reaction-diffusion, 20 Use of constraints in Comsol: 24 Circular references in Excel: 30 Finite difference methods: 30, 31, 33 and Euler method, 32
6 Chapter 10 All the problems use Comsol Entry flow Newtonian: example and 1; non-newtonian: example and 2, 3 Microfluidic flows T-sensor in 2D: example, 8 (2D), 16 (3D), 27 (2D) Pressure drop in 2D: 17, 19 (contraction), 21 (H- and T-sensor), 23 (cross), 24 (bend) Pressure drop in 3D: 18 (curved pipe), 20 (contraction), 23 (cross), 24 (bend), 25 (H-sensor), 26 (serpentine) Turbulent flow: example and 15 Transient flow: example and 5, 6 Orifice flow: example and 7 Serpentine: example, 26 Coupling variable, 2D ->3D: example Viscosity comparisons: 4 Boundary layer flow: 9 Drag on sphere: 10 (Re = 0), 11 (Re = 1 to 100), 12 (in tube), 13 (compare with data) Drag on cylinder: 14 Microscopic porous media: 22 Hole pressure: 28 in 2D, 29 in 3D Compare 2D and 3D: T-sensor (8, 16); H-sensor (21, 25); cross (23); bend (24); hole pressure (28,29) Linear coupling example, 20, 24, 25, 26
7 Chapter 11 All problems use Comsol except for 30 and 31 (Excel) and 32 (MATLAB). Heat transfer in two dimensions: examples (2), 1, 6, 30, 31 Heat transfer with flow: 7-11 Microfluidics, convection and diffusion: 2D: T-sensor example, 16-18, 28, 29; 26 (bend), 3D: 22 (pipe), 23 (H-sensor), 24 (serpentine), 25 (T-sensor), 27 (scale-up) Use of the material browser to get fluid properties: 6 Viscosity depending upon concentration: example Flow with viscous dissipation, 19 Chemical reaction: 4, 5, 14 Reaction with flow: 12, 13 Transient reaction 15 Wall reaction: example Electrochemical: 2 Scale-up: 27 Difference in 2D and 3D flow: channel, 20,21; T-sensor: 16,25; bend: 26; H-sensor: 17 Linear coupling example, 20-21, 23, 24, 25, 26, 27 Mathematical singularity: 3 Finite difference method in 2D, using Excel: 30 and 31 Finite difference method in space and ODE solver in time using MATLAB: 32 Appendix E Mathematical Derivations Prove stability: 1, 2 (cylindrical and spherical), 3 (2D and 3D) Prove truncation error: 4 Evaluate solution accuracy using the residual: 5
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