Table of contents for Introduction to chemical engineering computing / Bruce A. Finlayson.

Bibliographic record and links to related information available from the Library of Congress catalog.

Note: Contents data are machine generated based on pre-publication provided by the publisher. Contents may have variations from the printed book or be incomplete or contain other coding.


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Table of Contents	3
Preface		14
Chapter 1. Introduction	19
	Organization	20
		Algebraic Equations	21
		Process Simulation	21
		Differential Equations	21
		Appendices	23
Chapter 2. Equations of State	24
	Equation of state - mathematical formulation	25
	Solving equations of state Using Excel (Single equation in one unknown)	28
		Solution using 'Goal seek'	28	
		Solution using 'Solver'	29
		Example of a chemical engineering problem solved using 'Goal Seek'	30
	Solving equations of state using MATLAB(r) (Single equation in one unknown)	31
		Example of a chemical engineering problem solved using MATLAB	33
		Another example of a chemical engineering problem solved using MATLAB	35
	Equations of state with Aspen Plus	37
		Specific volume of a mixture	39
	Chapter summary	42
	Problems	43
Chapter 3. Vapor-liquid Equilibria	45
	Flash and phase separation	45
	Isothermal flash - development of equations	47
	Example using Excel	48
	Thermodynamic parameters	49
	Example using MATLAB	52
	Example using Aspen Plus	53
	Non-ideal liquids - test of thermodynamic model	56
	Chapter summary	58
	Problems	58
Chapter 4. Chemical Reaction Equilibria	63
	Chemical equilibrium expression	64
		Example of hydrogen for fuel cells	65
	Solution with Excel	66
	Solution using MATLAB	67
	Chemical equilibria with two or more equations	71
	Multiple equations, few unknowns with MATLAB	71
		Method 1 using the 'fsolve' command	71
		Method 2 using the 'fminsearch' function	73
		Variations in MATLAB	74
	Chemical Equilibria with Aspen Plus	75
	Chapter summary	76
	Problems	76
Chapter 5. Mass Balances with Recycle Streams	79
	Mathematical formulation	79
	Example without recycle	81
	Example with recycle; comparison of sequential and simultaneous solution methods	83
	Example of process simulation using Excel for simple mass balances	85
	Example of process simulation using Excel including chemical reaction equilibrium	86
	Example of process simulation using Excel including phase equilibrium	88
	Chapter summary	90
	Class exercises	91
	Class discussion	91
	Problems	91
Chapter 6. Simulation of Mass Transfer Equipment	98
	Thermodynamics	99
	Example: multicomponent distillation with shortcut methods	102
		Mathematical development	103
	Example: multicomponent distillation with rigorous plate-to-plate methods	108
	Example: packed bed absorption	109
	Example: gas plant product separation	110
	Chapter summary	111
	Class exercise	111
	Problems (using Aspen Plus)	111
Chapter 7. Process Simulation	114
	Model library	115
	Example: Ammonia process	115
		Utility costs	120
	Convergence hints	121
	Optimization	124
	Chapter summary	125
	Class exercise	125	
	Problems	125
Chapter 8. Chemical Reactors	128
	Mathematical formulation of reactor problems	129
	Example: plug flow reactor and batch reactor	130
	Example: continuous stirred tank reactor (CSTR)	132
	Using MATLAB to solve ordinary differential equations	132
		Simple example	132
		Use of the 'global' command	134
		Passing parameters	136
	Example: isothermal plug flow reactor	137
	Example: non-isothermal flow reactor	140
	Using FEMLAB to solve ordinary differential equations	143
		Simple example	144
		Example: isothermal plug flow reactor	145
		Example: non-isothermal flow reactor	147
	Reactor problems with mole changes and variable density	151
	Chemical reactors with mass transfer limitations	153
	Continuous stirred tank reactors (CSTR)	157
		Solution using Excel	158
		Solution using MATLAB	159
		CSTR with multiple solutions	159
		Solutions to multiple equations using MATLAB	160
	Transient continuous stirred tank reactors (CSTR)	161
	Chapter summary	165
	Problems	165
Chapter 9. Transport Process in 1D	171
	Applications in chemical engineering - mathematical foundation	172
		Heat transfer	172
		Diffusion and reaction	172
		Fluid flow	174	
		Unsteady heat transfer	176
	Example: Heat transfer in a slab	177
	Example: Reaction and diffusion	179
		Parametric solution	180
	Flow of a Newtonion fluid in a pipe	181
	Example: Flow of a Non-Newtonion in a pipe	182
	Example: Transient Heat Transfer	184
	Example: Liinear Adsorption	185
	Example: Chromatography	189
	Chapter summary	191
	Problems	192	
Chapter 10. Fluid Flow in 2D and 3D	197
	Mathematical foundation of fluid flow	199	
		Navier-Stokes equation	199
		Non-Newtonian fluid	201
	Example: Entry flow in a pipe 	201
	Example: Entry flow of a non-Newtonian fluid	205
	Example: Flow in microfluidic devices	207
	Example: Turbulent flow in a pipe	209
	Example: Start-up flow in a pipe	211
	Example: Flow through an orifice	213
	Example: Flow in a serpentine mixer	217
	Boundary conditions	218
	Non-dimensionalization	221
	Chapter summary	221
	Problems	222
Chapter 11. Convective Diffusion Equation in 2D and 3D	225
	Convective diffusion equation	226
	Non-dimensional equations	227
	Boundary conditions	228
	Example: heat transfer in two dimensions	229
	Example: heat conduction with a hole	230
	Example: dispersion in microfluidic devices	231
		Effect of Peclet number	233
	Example: concentration-dependent viscosity	234
	Example: viscous dissipation	235
	Example: chemical reactor	237
	Example: wall reactions	238
	Example: mixing in a serpentine mixer	238
	Chapter summary	239
	Problems	240
Appendix A. Hints when using Excel	245
	Cell organization, Cell contents	245
	Format , Comments, Pictures, equations, web links	246
	Select columns for charts, regression and printing	247
	Copy formulas across and down the spreadsheet, Insert rows and columns	247
	Split/freezing, Iteration on, tolerance	248
	Paste, Plot - xy scatter, edit, multiple curves, surface plots	249
	Arrange spreadsheet, Import and export text files, one column at a time	250
	Import and export text files, multiple columns, Export a text file	251
	Tools , Functions, Matrices, Excel help, Applications of Excel	252
Appendix B. Hints when using MATLAB(r)	254
	General features	254
		Start the program, Screen format	254
		Stop/Closing the program , m-files, Workspaces and transfer of information	255
		'Global' command	256
		Display tools	257
		Finding MATLAB errors	258
		Debug the program, i.e. find your errors	259
		Input/Output, Loops	260
		Conditional statements	261
		Timing information	262
		Matrices	263
		Matrix multiplication	2644
		Element by element calculations	265
	Eigenvalues of a matrix	265
	Evaluate an integral	265
	Solve algebraic equations using 'fsolve'	266
	Solve algebraic equations using 'fzero' or 'fminsearch' (both in standard MATLAB)	266
	Integrating ordinary differential equations that are initial value problems	267
		Checklist for using 'ode45' and other integration packages	269
	Spline interpolation 	270
	Interpolate data, evaluate the polynomial, plot the result	270
	Plotting 	271
		Plotting results from integration of partial differential equations using method 		
	 		of lines	271
		Simple plots, Add data to an existing plot, Dress up your plot	272
		Multiple plots	273
		3D plots, More complicated plots	274
		Use Greek letters and symbols in the text	275
	Matlab help	276
	Applications of MATLAB	277
Appendix C. Hints when using Aspen Plus	278	
	Quick Tour; Start	278
		Setup, Model library, Place units on flowsheet	279
		Connect the units with streams, data entry, Specify components	280	
		Specify properties, Specify the input streams, Specify block parameters	281
		Run the problem	281	
		Scrutinize the stream table, Checking your results	282
		Transfer the flowsheet and mass and energy balance to a word processing program	282
		Change conditions, Prepare your report	283
		Save your results, Getting help, Applications of Aspen Plus	284
Appendix D. Hints when using FEMLAB	285
	Basic FEMLAB techniques	286
		Opening screens, Equations	286
		Draw	287
		Mesh, Subdomain settings, Boundary settings	288
		Solve	289
	Postprocessing	289
		Surface plots	289
		Contour plots, Cross-sectional plots, Boundary plots	290
		Integrals	291
	Advanced features	291
		Model navigator	291
		Internal boundaries, Expressions	292
		Coupling variables and additional geometries	292
	Applications of FEMLAB	294
Appendix E. Parameter Estimation	296	
	Mathematical formulation	296
	Straight line	297
		Straight line curve fit using Excel	297
		Plotting the trendline	298
		Straight line curve fit using MATLAB	298	
	Polynomial Regression	299
		Polynomial regression using Excel	299
		Polynomial regression using MATLAB	300
	Multiple Regression using Excel	300	
	Nonlinear Regression	303
		Nonlinear regression using Excel	304
		Nonlinear regression using MATLAB	305
Appendix F. Mathematical Methods	307
	Algebraic Equations	307
		Successive substitution	307
		Newton-Raphson	328
		Secant method	329
	Ordinary differential equations as initial value problems	330
		Euler's method	331
		Runge-Kutta methods	332
		Implicit methods	332
		Differential-algebraic equations	333
	Ordinary differential equations as boundary value problems	334
		Finite difference method	334
		Finite element method	335
		Initial value methods	338
		Finite difference method in Excel	338
	Partial differential equations in time and one space dimension	339
	Partial differential equations in two space dimensions	341
		Finite difference methods for elliptic equations in Excel	342
	Summary	343

Library of Congress Subject Headings for this publication:

Chemical engineering -- Data processing.