Chemical Engineering 6665: TECHNIQUES FOR CHEMICAL ENGINEERING ANALYSIS AN ESIGN Catalog Description: ChE 6665: Techniques for

Chemical Engineering Analysis and Design (3) rerequisites: !ndergraduate differential equations" transport processes" and chemical reaction engineering# De$elopment of analytical and numerical methods for analysis of steady state and transient chemical engineering pro%lems arising in fluid mechanics" heat transfer" mass transfer" &inetics" and reactor design# 'nstructor: (atthe) *euroc& +ffice: ,-, Chemical Engineering E.mail: mn/n0$irginia#edu (/3/) 1,/.6,/2

Class Times: 3:3-./:/5 pm Tuesday 3 Thursday (EC331 Te4t%oo&: 5e do not follo) a single te4t%oo&# 6ou should ha$e a good applied mathematics te4t%oo& to )hich you can refer# The %oo& %y 7arma and (or%idelli" )hich is listed %elo)" is one good te4t# 6ou may also )ish to refer to %oo&s on numerical analysis8 a fe) are listed# Copies of the lecture notes )ill %e offered for sale at the !7a 9oo&store# !pdates )ill %e posted as needed on !7aColla%# Thi! i! n"# a #e$#%""&# The notes simply contain the equations that )e shall discuss8 there are no accompanying )ords and no e4planation of the equations# The notes are meant to %e an aid in decreasing the amount of time spent )riting do)n equations in class# 6ou:ll )ant to add your o)n notes during the lecture and during our discussions# 5e )ould li&e to use class time for discussion8 so please loo& through the notes %efore class and %ring your thoughts and questions# lease also feel free to see me outside of class in my office for indi$idual discussions# ;eferences: (athematical (ethods in Chemical Engineering" A# 7arma and (# (or%idelli" +4ford !ni$# ress" *e) 6or& (<11=)## ># 9# ?ilde%rand" @Ad$anced Calculus for Applications"@ ,nd edition" rentice.?all" <1=6# 5ylie and 9arrett" @Ad$anced Engineering (athematics"@ 5th edition" (cAra). ?ill" <12,#

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9ird" Bte)art and Cightfoot" @Transport henomena"@ 5iley" <16-# Deen" 5illiam (#" DAnalysis of Transport henomena"E +4ford" <112# ( articularly pertur%ation methods" pp# 1/ to <<, and solution methods for conduction and diffusion pro%lems" chapter /#) A%ramo)itF and Btegun" @?and%oo& of (athematical >unctions"@ *ational 9ureau of Btandards" <16/# ress et al#" @*umerical ;ecipes"@ Cam%ridge !ni$ersity ress" <126# ;ice and Do" DApplied (athematics and (odeling for Chemical Engineers"E 5iley" <115# ?anna and Bandall" DComputational (ethods in Chemical Engineering"E rentice ?all" <115# Chapra and Canale" D*umerical (ethods for Engineers"E (cAra).?ill" <125# (undergraduate le$el te4t)# ;iggs" DAn 'ntroduction to *umerical (ethods for Chemical Engineers"E Te4as Tech !ni$ersity ress (<11/)# (sophomore le$el undergraduate te4t)# Aoals: This course is intended to increase the s&ills of (B le$el students in sol$ing the types of equations )hich arise in chemical engineering processes#

rerequisite %y Topic: <# (athematics through ordinary differential equations (initial $alue pro%lems)# ,# Gno)ledge of some computer programming language# 3# Transport operations# /# Chemical reaction engineering# Topics: <# ,# 3# 'ntroduction to (atla%8 'terationsHDifference Equations Alge%raic equations: (atri4 (ethods# Eigen$alues and eigen$ectors# Bingular $alue decomposition and fitting data# ;oot finding# +rdinary Differential Equations: 'ntroduction to mathematical models in chemical engineering# Bimultaneous +DE:s# ;e$ie) of initial $alue pro%lems# 9oundary $alue pro%lems# +rthogonal functions# rincipal component analysis# *umerical solution of +DE:s# Artificial neural net)or&s# artial Differential Equations: separation of $aria%les and finite >ourier transform method# similarity transformation# *umerical solution of DE:s# ertur%ation (ethods ,

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IuiF: >inal ?ome)or& roKects

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E4aminations: The quiFFes and the final )ill %e closed %oo&# 5e )ill %e learning ho) to treat m"'el! of pro%lems of interest in Chemical Engineering )ith the use of %oth anal(#ical !"l)#i"n! an' n)merical me#h"'!# This is not a course in computer programming# *e$ertheless" you )ill %e e4pected to de$elop computer codes to sol$e pro%lems# C"m*)#er *r"gramming an' )!age: 5e )ill %e using (atla% to do some programming in this course# Bome of you are already at some other language" such as CLL8 ' suggest" ho)e$er" so that )e are all together on assignments and discussion" that you use (atla% for the %eginning of ChE665# (Cater for some proKects" you can use CLL if you prefer#) >or many (most) of you" ' recommend using (atla% as a first programming language# 't is sufficient for the computations that you )ill do for this course and for many that you )ill do during your stay in graduate school# ?ome)or& policy: Cate home)or& )ill normally not %e accepted# A reasona%le amount of $er%al colla%oration among students ta&ing this class is e4pected and encouraged# ?o)e$er" the )or& must %e your o)n# " n"# re+er #" *r"%lem !"l)#i"n! "r c"m*)#er *r"gram! +r"m *re,i")! (ear!- >or some of the proKects special instructions shall %e gi$en and these proKects )ill ha$e more )eight than the normal home)or& assignments#

Chemical Engineering 6665 Tentati$e Bylla%us

The class meets =5 minutes per class period in the (EC 331 on the third floor# An appro4imate schedule is as follo)s: '# 'ntroduction <# ''# 'ntroduction to simulations and (atla%: difference equations#

Bets of Alge%raic Equations ,# Cinear Alge%raic Equations and roperties of (atrices# Bimultaneous Cinear Equations ;an& ?omogeneous Cinear Equations Eigen$alues and Eigen$ectors# Bingular $alue decomposition8 general linear least squares (*umerical ;ecipes" p,3" pp5,.6/" and pp 5-/.5<1)# *e)ton.;aphson method for single equations and systems of nonlinear equations (*um# ;ecipes" pp,61.,=3#

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+rdinary Differential Equations 5# 6# =# 2# Complete solution to linear +DEs# >irst order linear +DEs# Bets of <st order linear +DEs Bets of <st order linear +DEs# *onlinear +DEs: initial $alue pro%lems# *onlinear +DEs: initial $alue pro%lems8 *umerical solution of initial $alue pro%lems E4amples: (odel and solutions of non.steady e4othermal CBT;# The ?odg&in.?u4ley model and a simplified $ersion" the >itF?ugh.*agumo model# 1# 9oundary $alue pro%lems8 Bturm.Ciou$ille pro%lems and +rthogonality of functions#

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Bine" cosine: +rthogonality and e4pansion of ar%itrary functions in series" >ourier 'ntegral# +rthogonality and e4pansion of functions## rincipal component analysis: reconstructing e4perimental data *umerical solution of %oundary $alue pro%lems Collocation methods# IuiF ' (Co$ers '" '' and ''') artial Differential Equations Classification of partial differential equations: Cinear DEs: analytical solutions Beparation of 7aria%les and >inite >ourier transform Beparation of 7aria%les and >inite >ourier transform *umerical solution of DEsMfinite difference *umerical solution of DEs *umerical solution of DEs
ertur%ation e4pansions

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ertur%ation e4pansionsHintro to proKects Collocation methods for DEs# ;eports or final proKect# ;eports or final proKect#
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