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'~,'] Definiti,(U]$, J

~ .2 Censervation frindple

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I .J .wi ~!I! ','!Wlt-,I"';;)~I,I!L, iv ....

rn,.4 ]tp~."ll ,of Mcde:Uing 'gguatio~~

1.6 Compl,l~:e[' SlmlJ.1at~fin IJ

1.1 Use of Simll]atl'eO Process- Mm~e!'

1.,8 'Summa:ry and Concl usions 17

Exercise« 1'"l

Reft,renc,es 1.9

:20-3,5

2 '[

ir.,:.

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wrmtr-uducUan. .3 9

The Precess and 'tke lYklde'ffi -IIJ'

J . .2,.:~ Pr()oess :Oe~r:ipt1on 4f)

3.:t2 M',at;hcmliaticw ModeJ 41,

COll00] Algorl*m 4.5

.104, 1.5

Dyn.am:ic Shn.ulati'o~ 46

SiElmm:ary ,and Conclusiens 51

51

51'

4 .. 3 Dyn~rnic S~~:lu[ati'mmj

,4.4 SU'~,m~ry ~mtd Con~I,usig;ns;

,Exr:ndsf!;~ st

D,,,~';{':;'l'~)lj"",..,."[ ·~2··','

~j~J~-' 1Ii.r._ IF .... !PL· {Jr ..

5~, Conti'n'UOU8 Stlrredl Tank Bi'oreeu:tor

IQ~-:-cD~ u.~~,

,$", 'I Chernieal E!lgj:ru~erir!g, I'll B~o:proo~~, hld.U~:lry

$,,2 'Operat:iQ.na] S,1:ages fQ ~ Bi~o,process 65

$.3 '0 hlchemi~:a'i R,f!aCl'cr 16'6

.c' ,AI ,(""Jj'j;t'!i'li :""1 'i'i.~ ";[;; <'"f";;o; i";i'IiAI "'U':"j.-;,iii,'I., n," ~. ~ ~ t ~ -, i'lif'i,It.:"TD'\

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63

,5;..4. '~ :PmCie.ss 'Descrip;Uo~ 6S

s: 4.2 Matltie.a:aticni 'Mudel 68'

S..4;,3 Diyn3iln~;c Siimu~ i.n:io~, :7:5

S..4A M'u]~:ip~ e S1eady- St.at,es, 76'

S.S' Sum Inlry altlid Couel uslons 7~'

EX'encise i 78

R(tfo.f(;,~nCe'8 .8 i

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Part IIII Di:stillall'on

6'

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6~ 1 lnlttod.u~tiOi1 81

~t2 .A:n OV'erv~ew 85

6~3 The Proeess and, the M:OOe~ 88

6,.3. ] :PFoce.ss :De9crlption 88

Ci3.2 :Milthema.ti,ea~ ,M:ode[ 88'

6" .. 4 D),',ID1;amic Sim.ula!UCln !lJ

(i..S SiUOl,mmy and Conclusions 9,;

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7.. '~l Introdudi:oml ,9,9

7',.2 The' Process and the M:ode]

7,.2..'1 hooe5:5, Description

7..2.2 Ma'thema'lica1 :M,odel

7,03 Dymtmic g,i:mI!!JJlm:io,D, 1 (18'

1,.4 Summ:ary and C'om.dusio:ns

Exe:rci$e~' 1 J3

,lleforenc-es, 11'4

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.99

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8,~ Acl'ivity Coefieient MOdels

g.'~ :I'~lrod:ucdon 115

3.2 Acth~ity COldll~iielmrt Medels f~r l.iiq~id 'Mixtures,

8.2.,1 'The: Margy,les 'M"odel 118

,8 a .2.'2 The Van Laar Mod,e:l liB

8.2.,] The: Mloon M'ode'~ 119

8'?,4,

11,5-"'44

l16

J.!J(}

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It2.,5 8.2J'i, 8.2,.'1

.141'

:8.J. Summary and Conelusinns .142

Exe'I'C/$£J J'.42

Rejennces- J43

91 m'n~rodudmon 1'45

9 '2 The 'PM-oess ,and ~J]e' Mooe~1 Jill;

9',.2. ~ Marerial an.d ,Enet'gy' Balance ~quati,()ns, .148'

9',.2.2. En.alpy Ca]cu~aJtio~ J 50

~;t2.3 'Tray Hydraulics ,151

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] :t2, MQthem~tical, Repre~e;rutati,or.tS, of Usefu~

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11,40 Vapour ad. Ltqmid. Enthal,py :r:m

] :t5 '~~ttiQn ,of S~att\'l~ M:orlds for 'Pure (~o1l],]lQnents and ,Mixttlt-e:s .1:25

I).S.,1 The R,edli:clli\=Kwoug (RKJ :8q~llail()Ii, ,of Stat,e~ Model 2"5

13 S.2 The Soave-Redlich-Kwon,g (S,RJ() ,Squation ~f' Swe :Mooe.l.

'1:3 .,S;.3, The Pen£;~RobillSO~ O)R), Bquation of Smte :M:od,el 2JI

'i3.$ . .4 The Benedict-,W~bb-.Rubiil (.B,W,R,) EquifJdon 'of S-1at:e M:odc,:1

13.6 v'aptJur Pressure 238

13;7 Summary and. Conclusions

,Ex;er ... sises ,240

,R~fot'tlrCe$ ,241

2J~'

1'2.8

iJ9

114~ Refinery' Debmanl'zer ICol um Ii1

14. 1 In1roducti:on 2,43

14.2 The' Process and the ~M'ode;'l .144

14-.2.1 Materhd and Energy Balance Eq~~,l}1jon5 246'

14+~t2 Tray Hcildup Dy.nam~cs 2,4 a

14,.2,.3 Predictions ,of 'Ecnt'hal"PY and ,[Eqtiru~~brium, Coefflcienr

1,4',.:t4 Eq ilUibri.um, Re~,a1ionshi':p 162

ru 4,,3 Sum'm'ary and Coaclusiens .2'67

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rei .ace

The c-h~m-i¢al process industries are faced with an inereas:in,g1y compeli~i.~e' env~rc~enlt',- ever ... '

"'~oi'.iifli·~~no ....... , .... .:1"'''''' .... Ii"!o~_..a:i:j;i ........ c. an" 'd' ,1tt,;i"!L·H10ilHl!l· ... ·UI.""I-" 'fe"lllilat- ions ·N'i"!Lt~!Ii~tt~ .. ,~\I!'Iondtnn ';j;i'l!-o ..... C.i]o eonsea "t'n!iii!'! ,;I;i'l[:o.o;1

""I!UiiU,~~ . ~I .lllil[fi.];,. 1lliiiU1I~1J!lUU. .. I.LJ!t- I , ~~." ;,IiJII,IJ"-II,I_ J "='" ' _. _ , ._ _oil!lr. _ Ul~'''' J~,~I.iUI~~J ...•. 11Ie. Ul~~~ ..... _, , f.J1~",~_ 'I~I;Q, W.l'\...

~ . 'd' ,. _. :'~ . h"'" '~'.. .' ~'" - ..... I . 'I,' :to, ":1 'OJ" . ;~, ".; th i' .' , ........... II . ·t-", "~hI~1 " .. fI'. 'b:"'I"'~' ,I':,

In usmes . ave ,~O con,'~ln1i10e.y Ji.,eep on ~,ncreasUlg, . ewr ,Pu,(PIi,dilC lYlJ .. ;.-r anu, pro.b'l,U'''J ror

;e!I~· .... -r~;lIil"!l;~1 .~l .'l.,;i]j; m "liirk~t- 'rin' order ~ ..... ,o:!i"""'"I-~"V\e' oiei.j';[!1 "i""'''''_ ~I!i> '1" I!!', most ~im· nn~njf ·th- at th 'e: ch ·emJi .... al plems

iill .... cl ,,~,. wW •• dl~ w,~, l!lioll, . ~ • ,II " VI . · ... 11 l~ IrI!,...L_~!. f\.; '_ ,1.iI,h .. iiJ er~;'!I! LI~ ,_iil! . _ t iiJ' ~ __ , y'W!'~ 'IrQ. !. I~ .. _. .' _',. ",", ~ ' .. = 1~~1Ij;i ... J , .. [ WI,IJ~

&'e o-pemted w~~h optimum, em,e;lene} in spite: of the di:i"ere~t constraints con frond ng, them,

'11~1 imJprove' the desjgu~ operabiUty~, sa'fe~, Md. productivIty of B process 'with m.inlmum, capiital and operating coS,1S, it is 'l1ecessmy '~O uaderstand the de'm!~ed process d~~tcs, and plant be:ba\1]oU_li~ 'The: 'process ,c·haxactensities can be pNdi(ted by soh/~ng, me matlentadcal m.:ode1 'in a dynamic sbnu:latol; Such a process simuJa1,or 'CM aWso 00: used ;BS, a diagnostic: tool to 'identifY the ,operationail problems..

[ , ....... 'd-'·r:" - .1:'- 'lb-- - .......... 1· - - ." - - - - ....... A kn - ] - d -. . f dli( -- - ~1I. ... imtI;ti - -l - - ss ,:0 :Q.u.<I~O[l~ ',1;01" me caoYiU", engmeers, a souae "~~o-,,"_e' ge 0,;; c_l_e: mEll!l!l!Ki_~~' __ '~J~~a_ 'proce'~

model L-:~- -'--nf-l ~ n account ortw'a -reason£. F~rn" ':ilhe- must have 100, IOr\remU ,idea of the 'nrooess ~ " _e _ ":i esSie __ La~ O'~~ "- t" " "--"" - - - - " " - "-- "~- - - ~ - !~ "-- - y -"- - -" "-"- -" - --"" - - - - ~ "" " - - -" --" - ,If'" " __ " _

,cbuacttristics at djf[erent ,cond~~(ms ad situations, and second" th~y ,shGuM be ,a'b~e to 'use the preeess model for desigmn,g the advanced eontrol schemes, M:ofieQvt1'~ the model is, :oo-Q:uired. to

d· n' ~. •• • ••••• ;' +.l1li, ·~!I~I··. ~-~:""-'d , " ;.',

, everep appropna~ OOllr!ol,,,,,w~er S~u.~,Il~ an·. so on.

P,resmtJy~ most: of'the. bocks avaiWable ,on this 'topic give s:im,pUfied, pro~s mod,e~s; and their' - "-- - Il .. +: - - - Th - -+ -- rfi' ... .;1 . - - -- . --"- - f...:. . - .... A - ~- - -Ai' '1-- - - --.' - _. --t real . rooesses and

s~ml~~J!.om;" "' ~~~ s~mp~LI~. '0.1 arppro:~mllaw '[th"N.e, 5 cernn;:.,.,~ a}~fa\y.s; repre-S1e~, :",_-, p"., _,c : - ~"~,',,'

'lhtr"- ,:an:: ~rerore useful enlv fnr academic: 'l~ti'li"i"In~S~ This book presents '~e: develenment of

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-,-Hi - -- - -fca~ mod-'I'- fI- - --:- -- .-, '--arm' -h--- '-m- -- -- - -,-.--, 'The -xa_m--]es 0-· case studies PJai' ,1_I;:JIUU.c ~~!_.". ,e"s ~.'Qr lIlarny r,'e"" J - Ji: c~,~mH; 1_ p~es:ses", e- ",'"' e __ ",~p ." ,,[ .- ,- '. )1 L .

ii1chIDde:: t""I"'i'lr~'. ih~a.t e:x.c~;el -cheJn~cW rea etors I(b ~th oontinl1'OM and, batch~, blQiC~em.ica~

~ "' ~, " , ,~,~ "" .,. - "" "g," "~ Col""" "~., ~ a,"" ~ ~ Q, " " "'""" " " , .. '" .," ,11 .. ,

'reactl)r~ distiHntion, ,c(l~umjQS, (both conti n u.o us' and, batCh)~ ~qu~Ubrium, 'flash, v,npotTizer~ aad the

reflnerv d"',b·-i';+nri;"",.,.. .. , ,"';fIo~'ili:wln- .. Be- :.o~'I' ..!I~[!'. the d -y-n""'rn:]· ... sim - u- - ~I""'t· 'L,AIi[iII!;!' ofth -~.,~ 'n"j".C~;ess, '":1',"'_.J~'I;6, ,~~ ,O'!il~'"''''

~!I.r_.~~,~~,!!,~ 1iY _ Y~,~LA..~, ~~~~.~.~.~ ~ u . ....,.~ .' ~~ ... ~=I.pI,~=I,~~ ~ ~,.lIJ~ 'y~~ y.,~ .~,~",~~ W"'"~,'U. ~JH~U\l~\~~ ~'~ G~

jnc~~d.ed" In this boo); many process ,s;~m.u]altOts ,0,' d~ffer.ent parts of the simuta!tc.n'S are pro_grarn~ed lisj,g Fnrtran (90) lugll,mge" Sucb detll~ed, pro,grams 'UlSilng an easy ~illlguag:e ~ike Fortran (90) should help students te understand this s~bject :matter cl,e·:u·],~ Also, ii, is not dHiicu'lt 'to transform tlmre mnn,J1e(( Fortran p-ro.am!tt1g to some other cO:ilc:e~i.ent. I aug' iI!lII,O\fi; .

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xiv pre!8J::e

t.,t th . d - ~ :-1- - Imelnil af math[emm:icaJ model S Gf several chemical ,- roo~~~· the 'readers, ~ c~ _, ,e _ e _ eJ)J:L, , ,~_ ~, ,~'" , _.~, _ _ __, _ ~ _ , ,_ _ _ _ _, p __ "'_,""". , __ , _. ~

need to 'be fwnilis.I' 'with the fundamentals [Qf activ~ty' coefflcieru models" equadon of :state models, vapomr=Uq uld [eq'u~libr1um!, k~n[e,th;;; m"[Qde~ls~ and ,SID on~ Agaht "0 shnu late the mathematica] ~n.ode:l structures, the, readers should also be kfi.ow]edg~eab~e aoout different: nnmerieal techniques for sol\i'ing the' oId~tun'Y differentia] equ311,ions ,and ~,o,r:~li.near aiS[,ebraic

.. . ..• ". _.. "[ _. the ", '·t',..... ~t.., -. _. 1"h ~I !Ii.-;,"'~. f ~I~ th· . ... 'if ·1- ..11 ... _ aials ... . ...:old· . dl Th· . equ a" 1 on S;, in .. , e Ulhl:w CiIl;lap,e:rs;; .' ,e: U!e,~hS, 0: ii.'tn snese ~'U!fl(.uyi,!El_~~~ s :ate n~~resse. I, ,f:

fe·ade.rs·h"~p fi'·C- r thls book 't-'bere:i"o··re' cemprises ·S." .... 'L·'·o'r' un·d,-,.:i;'rg~AII'I"'-' t'.:Ii ""'t-u.A''''n;ir,;S tlrst 'y'e· 8r

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p>st.;gmdlUd:e students, research Slci:emti':sts, and :practisi'rig, eng,in.ecl";S"

It ~s a, great 'p]eM~!"e' to; acknowledge' the val~ab~e oonltrlbl,H:iQrls pr,oiyided by :rmmy' of my

·,,-"1'1- ,·-·';h . '[ wish to ex [-:e -;h-""~·I'-'[' ,~~·"i"-r,A.' I'd- 'i'd[·"b--l ... -A'i'·'~' ·"c n;',.~ .A·'N' c.'. -:.--+,n we" ~w~S\ ,~rs" '~ W1S", ~O expr.~-5:S: HI} ,~J;;:i!:tfne ,~, gr,a~.l ruae ,an. run.~ ~ ,YYin.ess to r,ro~", ~.-~ ... samama

and Pro .{, ~~: ·G[· · ... nsu ]~r both ofthe ,d' e i1"" ....... e nt ,~rf" ehe m il,i;f!tii1 [;:;rn{'l!·]""iiI;;;.e~:~in'a ]'~~ 'l("h~Jmo'p- ll'i!" t:'.o-'~1!' ,~':LA']',r

~,~._ ",~,I~"~l~!!' _iRIJI'e---.#"" _!~, '_" I." . 1r'~I'.il,I:~' IL,u, .._" '~"'~o _\1I,10'''~!i.. I,~ J~!I ,lJj,1 ,I\i..,~,~ ·....u"l,ll_.,~ iUljl'l!i ..

mnvaJilalble Sjl!:l~,,:-esr.ions aad c'Onsmu;c~i'Ve critieism 'rhnluo'hotu the develeemeat of matr .:' of 'l1he~

., -. .., .... ~ -, - .. ,g, -, ,"," ... - .. ., , -~ ,- ... ,.. .. . . - , "~'" . , " , p, .. .. . " .,' . --~)' ~ ~ -,-

il\l'QCesS! simuiatQ~, I am, ru-atefu~ to :Pr,of~ 5", Rav~ :Ptrof: ,D,. 'MultherJ',ee and Prof, A,,'I{, :B:i'sw~

F _ " ..

"II 'f' a.. d pm-ttm- - - '_·t '·f·' "'h -- ," 'I ,-, ._,., --"- "[]-T Kh'·'~'··- .. -, - - ,- tic. - thei - ~ -- ~.1Bn' -.' ,-, -- -'

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a, 0, e.· e. [.. ell!. 0" c, ,e,m]ca , engmeen~&, ' ." . ,aragpuin'!, ,Oil' .. " e~,r CQIl!S - t e:nc,()~gemeJll

to co:ntp]ete ~b~s book. ~: am, thankful fOr ~~e' SUPPO:t1: received tbrougho,ut the de:ve'1opmen.t of the manuscript flio:m the dep.armte~n of chemical e:ngifieeri~:slt. :81TS,. PUarni. Speeia~ thanks go to m v £O_dil' ""·O~I~!a.!ifii'U' <lioi:l 'l!Ji-ro'~ 'R- 'D ~J-."."i.I Pref B- '\t Babu '~ 'HI~' '-M' .... IIIl.· .... -II!, ... and 'n.. A' ~';'i'I;d !L :. 1_':$ J;I: ',III~~i"';;ll !IW'. ~IHL~'~ . ....,.;,~ ,(""' I .. ',[.!. ," •. f"'" ~ 'Vi1_ ,IU.~ I - u,I'~1 . _ .. ~ Y i . _", ,g.. :; ,UJJ;r. , -, Ir.lr!ir.,. ,: r. ,uJIHLCl.[~lG Wll. Uf~r. -' '.~ ".I.IJ' I

K'~ Sh a;nn a, for the ~l[:!Jrn:~~rt: I received, 'i'o'ru ,8JU ,of Ile;m 'whj~e 81t: ,B.I'1.'S:;, PUaffi., :S~cial

r'1r-~ ,r .....

mATIo'~~o~··n m, .' • .;.+ be made ·0: f Pro f ·M:: asslm ·1~li' ... ,1'j'IoOI 'P,IfI ...... I-'''''',. U·I"""IV:~'~i~~' dl rn\r.lo-fl;N~'~_ '~'~l\l for [O·'~Ao"na __ """O~~"_'_" ~~, ,., ~,_)", ," ",1,'_,_", _,~ __ ,hr!D.I_. ,lD.;GII;;I',,,,-,,:t. .!I~,,""(IJ;;II~~Ui_o, !f"i!;I:Y ..... ·'!I'[ ...... ~[~~J'~ ~1141'~ .. J!,t[""'~,M ... =

many :helpfll~ su,gg,e:stions", I w~sh 'to acb,o",'led:g,e 1he~ i~,po,m'Hu: suggestions, [of P,wt, 3'ame-s

B·:-: ifi"~._.;. 'Ii;·'·-' '",",. eh '~I', .:"'\!,. ··"ttI I '[ bbock ,'. iI"!.,l,ggs~, ,. e:xas ,L e"e" u,m" ersl ~J" ,c,I;1i.U\J\,:-Jio,;

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" am grea~ y hwe _!I;~!,V e sl!;a!ll I, m,m,vc:fS. 0 I,. e pu .. · \ ,ISuer, rfiie:fY,~ce .' .a, '0 ,Iii I~, JOr me ....

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iCO:_lli:!1w:1!1,I:~, >CQO'pe'J'a eon ana unsnruea eUQi,1 '10:1' ~m pUu ,IS;(l,dln,g I!Ue: IVOo.lf!. m as pfe,se:nlL ,1:Oll1!t

L"II1-_;;,. '~k C -, il'd" 'n ,·t ~"Vfi' b-e '., I ·1' ori=4' Yittb'- ,~. t- h . . . .. :i;:". .. ., ' ,. , ..... ··ri' .. d ' ~. '1;.."";"""............ .. f· .,!!!~ VV'U, ,ou-, ' I) !!!~_:: ... _::~ COlWl!,p, ... ,~~ . ~., .QU~, . e pa~l,enCle, ,5UPpa.,,,,,!, an . ,I:O,fi:JC'AI:dllK,;e 0.,

my mother and :my 'wife" Fi~lly~ to my rela:~i.v~, goes my eternal grarti:tude: for their love, sapport and dedJicadon.,

,An It:omlru::~ts: aad suggestiens for ~m,:provem,e;Dt: of the' book would 'be gmlefuUy ackil!ow~edged",

Copy" 'gh ted m a1.eri a

'Vamia'~~es are: agaIn. classlfied into two cate~,Gric5~: ~,O\8d variebles (or disnrrbanees) and 'mai,piUlalh!d. (or a~Jlls.tab~e) vMi3Jb1es. Itlll:eli,e-;'S1ing:ly, scun,e~oiw,e.s the ol![tpm 'now Mite is considered as u i'n~I1~: vmaible ,(te;., mani~lllat,ed 'varriablle)'", f'(]It'~xlmlclle i~ '~i~'lu;re t ~ , the Uq''I1id Vll1hlme

-,- IV- - -,~ ,- - ,,~- ,~ ----~~iI!"---, '" -, '---"--"',' ~ e P_" ... ~~ru ~ -g,,,, " -!, -" ~,,' ,- -, - -

((;.r ~lgh1:) in the tank cain. be. m(lii]ta]~ied [(Of' ,coilUro~~:erl) by a~justi,ng (Ctf' 'ffirn-iipil:lardng) the. flow

:r,a;re; of the 'olrt~et stream F~", It im,plies ~~;aJ~: ,F~ is the l111!a'riIJ~p1lIDIil!1ed v.iaibl,e', i.e., in,ut vati:a'b!le.

Purtilte:rm.ore~, the 'I)U~put, var:iaibl!!s are dependent on the star~~ variables, Fiigure 1,.2 shows, ihe dependeJ1~y Qf the' QU1p~,t variable y on the state: vBiial]lle x. I'll the p,ictJJ'riaJ iHu$trotb:a~s,~ It has been C,Q"s':de ed as ,~, "0;'1' ~':-~- ~~,-~:~;io ' of ....

IlL ~ .. ~n ~ ~Jl,J,~_Ii~~ .~~ a ilLIl. meat" ,Iunc~~ ~n .~ ~ ;K.

:State v.,ariabr~ X~---iIioI

O-Ulplit variiliMQ:

I!-----+' )' 1

-I

~.G:: U' R"~ 1· ~ 'S~I""'le: 1~~IiI'L .. il.j~ mul ~~,'a"~b~Ie" iftli~n,

iii I . .,... ,""", La . T!:I, ifJUII •• rv,w,"t" ., '!I! 11~1.iI., II m.il,..'"

, L

(1.6)

C ...

]"';;; ',.. "",

'Now' it Is clear that 'when C is, U~iltyj the output: varieble and :stare variable U1"e 'the' :sam,e'~ N QW we wl U concentrate our discussion on 'thG slaw: 'varia:btes, and state 'equations~ In

ehemie ... '~1 "'"""Il!i;P]I;i:>""'r't'n"OI' '"lri,"'""'"'" ~P]I;i:>iIiO'V and momenn IW'O"I"";; three 4f~~ln-'d'''':rn'''''Iii'~ ... '1 filll-Y' 'f.ljnt·lt·I:fi!~ '~w~ ~'h""~e';

... e-e ..... " __ o_ .... ~.~, .... ~;!Ow~!!, ........ "-'-i!;;;:I" ~!!,~.;J!~ ~~!!,'U~~' u ... , ' .... ,' ... '.!inUlin .;u ... "I,UIIOl., ,l'IlIO, "',LiU.I!_il~ldJ", 'I.iIO 11." ,'I;p,;]! ,~" .........

'values, describe '~ei Iiaturn~ ,slale 'of a, proce:ss~mg s,yst:e:m,;, These three" fundamental, quenmies can ~.'";i ... 1.,;!~ ...... ·e~"I';il_, ... 1 bv v,6~'""lo.'le~, ~JII'.i"'1 as ... ' .... m· ,t\...,~]~+:jo:"on ( ...... ' mole fraction), ,t:ili-'n""~ru'; . 'r,IIi', etc, and these

~ ,..1~[i1j1 .lILIL.. ... U. . J '_ ~ [IAU .. , iIJI~ !iJ 1W! ... .IIlI ~ ~ i :I'"'V'~, IIP,I,U , J ',VI. ,[ l.V, ,11J.... ".]! .'I!."1II~llr'~I,~ .. _ I!P.I, ~; ...... loti! ~,~. _~,~ __ '_'

'variables Me' caUed, :stal.'~ 'varia/},IIJ,'s+ ,A state variable arises ~~rany in. the ac~ili.lInuLati,on term of a dYllam,lc balance equetlon, 'Fer example, In case of a d~stmatLon 'co~uMn~ tray' temperature is a sta1e v,ariab.!;e that arises wben dyna:mic enil!ha!py balance Is penorm,ed ,arcilllnd ,2 ty,ay: compo\sJti:on is alse ,a, state variable it'll the: diynam le 'COnl]lOn'Snt. mass, balanoe: equation'; ad

, , ","' '" '~I" ,id'- '~h' -I~' '" ,f .... , ' a , ... ~[, id " ed ., . tate ' I'" b~' tn' t ~ ,.'-~.~, froM a

somenmes ,1qUI·· , ,o.'ymp' 'o.n :a Y"iRiY ts wSO' COUI_:_e",nl_, as a SAl," valla_ e 'J,I~l_ anses , ,,'I' ,

dynaml,ic, 'i,}'N,m~wl~ mass bahwce around. ,0, tray~

Thi ~ ;n. [ii'!-O' 'n" s- c· PUil' t~ lon of i1!!1ff11~lIi!c:o ~i~: !'1Il fu " '", A am' , ' , e- n~~"illl 'C- .n.n-- "'e-'p-~ + ·o~ f",: 'n'h- ijJi!;'''''1!' a~ '1·n.n"ti" \"'H~I~ik ~'1f-'E!I' nservanon

_ ~l"'!!V !II,.-. ,__: ," ~"~ !I" .~, __ .~ '.'_ ',_ ~~~-~ ~~ iLl! !'!.l.~.ldl"~ _ . \ jLiLii~ '.v. ;~. ",_.-'~ ._ , ~" I;' ~~~I . _ V', ,,~ ", W,I ILJJl'lw. V.:I.;;J'lr.J," .. ~ ,v., , 1

of ,e~ergy' and the censervatien ,of Mom.entum. As stab~d 'previous~Yt 'the eonservatio« ptin'C:ipJ(~; provides the basic b~u~prinl 'for bulldlng the 'm~th,ematkal .,od,els ,of interest, The equations, w,~rch. ,me dc.ri.vcd by the aJppHclHon of the conservation principle on mie' Nndm1.~nt9J quantities; to, :R,i.a~ tih~, slate: variables with, the' other variables (~nc:l~dimg other s®.rut,e variables), are 'cal100 $'lat~ equati;(),'n8.,

'r .... ' • d ;i:'" II e .,1l., ]" ld +",,-'~~ (~. 'l 'l'li. '1ni.. .'.' 'I f t'

Let us eonsr er tne exampte O'~: UlIJe, lqul"IJ4lUUi.,;;r.lgure , '0. ,~~, .,,~,Ie pnncipie er sonservauen

of IUnsS implies

[Rat~ of ma5S ~lccurmo.1ai~O:i1] ;::::;, [Rate of mass i;n,put']1 = [Rate of 'mass output:] ('11,,8;)

l'f' '~e liq,lrld dens~~~ (p) is, assumed eonstant, then

Rate' o'f' mass input = FJfJ'

Rate: of mass oil;l.tput FJJ

Copy" 'gh ted m a1.eri a

where 111 represems the mass (= volume x demdty)."

EquaUon f 1. ,,8)1 finally gives

dll ,

--:- --:: Ji - ,F~ dl

Obviomly~, Equation (:1,.[9) ls the stta4e equation and ,J! h~: ,tIl~ smt[~~ varl~a;b]~", [n 'tE:t'S, 8!bOVCi state' e,q:l!Ul!tion~ .v is dependent [~)iw the inpur 'V'armb~e F~ since F~ is, ij, 'mnoo(l!p of ,,"," (we will see in :Equarn:ioll. (l ,.'~ 0). ]lffi·e (i} is [ctunm.on'ly regarded 8lS an independent variable.

If we ,~U!lT.te that the outtl(nv 'fr<nn the 'tant ,F~ ~s prop Q rtlonal .[0 the square root of ,the' VO[UIn'0 (lY,f liquid :in the tad V as;

(1..9)

0" .. 10)

)"'-'F"

1'~ ',0'

.• Jt:=V

g: (x) ...;.: c' JV

('1 '1 'I)'

iii' " ..

whoere" ~),'~ c: JV~, a~d C ~,pr~e!1ts, ~he C:Ol1slta!1~: O'f ~ro~rtruiil.,'~ality. We ean observe: from EquatlO!1l « 1., 1 'I) that: the ,suue-oulpu~ map g(x:) rus represerned b,,' a, no·nl~near exp:r[essi[on. Subst[ .. ,

'ttrlina F. ~ Cry' in ~q" 'uatioml (' 'I 9\ ene can easilv see that the state~ V'arhlb~e. IT' is dfjpenden~

-e ----'-,e 6 ~ - vY- , ._IIl~ .• -" ., ',I. I~ "',. .11 . "~ .. , . -,' . _, I . , ,- , .. _ ' '_!"!J __

on the in.rt~l!t variable F~, oml,y;, "

,A, matbemati,caill 'process, model usua~"~y consists of the' following ~es, 0(( eqrU3!tio:ns:: '.' A~,gebrn.ic; equatlons (AEs).

'. 'Ord:inary d~1Ie[ie:tuial, eq]uairi[ons (ODEs) '. Pamal, d,i:ffe.:ren1ia~ eqooJt1ons (PDE~)

In, dHI:e:rernt chapters of this tex~booJ; the d,eve:lopment of several complex chem:i.cM 'proce.S5 model s wlll be discussed At that t~m.e, we win observe tbalt: a1J~ the mathematica..1 model structures i~clude the' ordin.~~Y' d~tIe:r[elui,al equati,ons a][ong w~th the. algebraic lequadons" A,a~Jl;mnYf we need to so,:~ve a, set ef algebralc [e:qlliltllions 'fo;r 'find:il1!!g; the: 'I'l!umeri:cal solution [o,:f 3- set of ord~mu:y d~«ere!1tia] equanons A1JttnoU,gR flOJU~ of [QilUt process nn::Kle~s 'wiU include the' partial diffet,enthd equations, one of the rueading methods :fot solving PDEs ~$ based, O!D converting a pardai di,ffe:reTI!lhal '~U8do:n to asat [of ordinal)' differential equntlons, Then 'we: CaLfI 'use a snlreble reehaique N} solve the tra:nsfb~oo [ordinary dl.tle.(fential equations. Several n~erica'i m,el1mods, for solving ,onEs a.te' explained ~n Cb:pte.!f 2. of thls rook, However, lIn, rhe subseeuenr dlscusslon, '",i'e 'vd II not 1aUit ~n.v-m!Oi,;e about PD,E's..

~ ;.! - 'rJ

Copy" "gh ted m a1.eri a

Based on, these ,~5u:m'p~Jonsf. let: us develop h: ene1fgy bahl.nce equation l'Or' '~he' hea~:

",,¥r~"'''f"'Oiii!-[' 'I':j';ifj;"'" the t1re-;- ssenr C: "3;:;\CiI, '~""i!i''iiI~~l' on (11 _""IJI:c.)- heeo '-ml' -_:i ... "" ..... Ii!Lli:Lili,V '.' ["v., ~-, "'" ,F ~,III, _' , ~t '1bAoJ'I<MoI'i U,_, : ,1, • .liUl _ """',_- _ .. --.:t.

(L2l)

=~' - A. AZ' [_ iT" [1-' _, IT)- ~ ],

P~P' _' \ .. ) J+'6i ~ - II,

- , -

Amount of ene!iKV' inpu~: during, the 'time period At

'[i ,Amount of ener-gy in. m: z ]1 [',Amm.uu of [energy ~n fi1U:m the st_earn to]

=~ ;.!. • .. ;.! .. " • - JTI . .. . _. -" - -- - ..

1,W.llil :OOrWIO:g liquid dun.: Af' "tlte, 'I'liq •. lId t'hmllgw. ~he \V,aU du;n:ng ,llt , ,

,= ,rtf" ,A ~''''''')' [I A., + n A ~~·, .. n A 7):, ,_ ~ p:W-n ~;:t. Z' ,g_I, - '~ ,;i:..I;!:·v~ V -_ilLr,

Amount of energy '~lllt aJl .z + ,&7: witb tlowi~g, Uquid. dudng the time period ,(jJ

At = pee- v',A.[(Tl I-i , ,N:

'P . Il·,*,Al

p'C'p.A ,dZ' [(1) IH &' _, (T) Ii']

=, pC~ v A (1") ~:~ At + 'Qm' ('JfD'AZ) ,-, pC;'O ~A (T) ~z, "u ~..", 1M.

,,...,- ~ r- -"Y 'T _.a.t'_.

(1~24)

ReMran-, ---- --, ". '" ',", a-" "

" ' 7, 1 ' ,il" ng-.,- w~ ,,tav~:

,._-, e.~- - -",,' .. ~ "', "~

P-C' ." AA.'7[-lT) I ,=, '(1\1 ]-

.1),-"-' ~ .!!o.- . _iI'+,~"- 1 ~' '.

=,.~ v A ~r'\ II A, _, ,nr tf. A_ffT'\ I .A,,~ -Ir-l'l'.Jl,.~ oa» .A"".\

,P"'-',p- ~ - \.= J Z. u~ ,""'_p - ~ -\;- ! [-'z'.'!',4Z, ~ - !it UJ V":'- ~'I

(t2S)

'D',~'--~'d~' -, boeh sides .' f' till- ·'b- - ,. "'-.-- ·,t-·· ." 'l..,- AI A.? .... d t'" ' .. ", - . " AI' ----I '0" .l ,PI!, ,Mil,g OiliU SlueS '01, '~;Ie a eve equa lOllli uy ,,,",; ;U;l',;., :a~1 .men assem I,ng t.l..' ~,' UiItu

AX '9" 0, 'we fin_a~~y ,get:

~r'- ':\cT' nu'

fi,; _ U',~ 1(,,,,:.,' (T ''7''''

~,+ lJ! '. :::""', " :,1:..- - i)

,:)",,' '~'? rlJ'""',., '.', ':M; " "

u,~ [1"," "'"-1'11'1,

where

~ ~ l I '-il11iP

Q ~('C'r;' -T)

-"1 ',', I. ", .

,_ "-"""'''1- =.- . ,",

(t27)

Copyr'ghted materia

F-1m_mental model 0'" empirical model

The fo:ndament'al' models, elso called ,!lr-st .. prindplts models, are based on ,ph)ls~cal-c;hemical, rel:8!1:ionships., ,A.lc~tual,Wy~ these: models are d.eriived by l'ppl,Y~llg the c:o~rv~ti,.o,n principle and. may also ,h~;e;I,ude transport phe~,om,ena, '!react ion ikJin~"ti,c:s! and therm,od,yn~mlle, (e:.g., phase ,eq.u~~~bri.'llm) re~arti,oMbi'ps,. For' example, :Eq,nt'ion (1.22) represents a furujamen~1 model for a, stirred he arti:ng, tank slnee ilh; mooe:1 is eonseueted based on the prmeiple of eenservatloa of energy.

The :~~ndamenta[ Mod els e,'ffer several pot~ntia] 'be~,e:nts\, Shllce these mode 1:5 include de~taH,ed, ph"ys,:icaJ-chem~ca'l fldatinnsl~i,ps~ thG'Y can oott~r- re,pr.sse;n~, '(he~ ftomUnear beheviour and process, dyna.m[cs';. Ihis ,aUo'Ws the Model 'to be wed beyond Ols operafing mn,g~ in wni,.c,h the model 'was, censtrueted, Another ,advan.tag~' of utUizi-n,g the' flfsl-princ\ipl'~, approach ls tha~: the stales Me~ .8e]ternl:~y phy,si"cal varlaeles such as temperature Of' coneemtarlon ~_hat CM 'be directly measured However, the '61!lLiflda.mef:1lJtal models are time consum'i1'ilIg" to d,eve'h)t'Ii and thev often

,roUTe ., .. ~ .. VI '- ,- _.",. .. . ,. . . . I . . ., .. ,,' ,-lil~ , . ... iF . ,. "OJ"" ,

halve ,8, large mnnber of ~q!~a1ions with 'man,Y parameters thet need to 00: es.ti:mat~d., 'But ln this boo~ we w{),ul,d, pre':[e:r to develop the' fundsmental -proees;s fn'(Jde'ls.,

The ~'m,p,iric'tll :model, is generally de vel loped to use '~i~:eJl the ac,1!uaJ Pli"OCGSS Is too complex and, the tindef],ti~ phenomena are not well lIooerstlOoo or when the numerica'i :solut.iolil o:f the ,G ~ nd 'amental m- odel is tllji1l~i~I~;i;II d'Jffi- '~'"'U'h nf' w.~ ""'n the ~,m, . p,i'rIII"I~;~:/1 model 'p:....."V~d'-ljllle, satlsfacterv

,I,U, . _Ii-li. ,""'1,1, ,,1:1 __ IV·. _~, ,.;, "'!II ""I!ln,.. '. !Ii" ~"""'_ I", '!J, . II¥~ _ .. ~,~... ... _ " ,_ '_ ~,,,,g. _ _, ~"'"'. ~ I!ii~, ;_ ~ '>l' .. ~'. ~ I!ii..:!' _. ~>:!I'~'_"",'!I;iI',,..,

:p(redicdons, ,of' 'Il~ proces~ char3C'teri~~:ics\. 'E~qrerim,en'a~ :p,];oot data are used "0 develop a :rel~ti:Qm;s!bip 'be~,wee'n die ,process inpu~, and, process output ,as 0:" em'p;iriea~ model, using, a :mathemadeal :framewolik s~ch as arUfic:iaJl neura'i netwerk (A.~) (RoJas,. '~996)~ least sq,UMe method (LSM) (Iai:n~ Iyengar, and Ja11 111! 1'995)" etc, A.I tbou.gh the time req,~i'fern,el1![ U) obtai n ihis type: of models Is often, siigni,filcan.tly :red"uced" the ,emphieal models, g"enm~~y can 00' used with. confidence onty for the, o,pemti'ng range in wbi,e'h tbey are cUMtructed .. Since these models de

- - iii ~ ~ - - . ~ t, :I!'~ ·th~ ~ - -~ ..a ~ ~'I ~ ~" -~ - ~- 'h ~ - -" - - -~ ~- - -d - - 'I · - ~ - ~'.-:~hr L 1- th - - - - hl - ~~- ~~- a "be] - [it as - bv _., eal

not ,;W;OOUIli~ ror me un~er,~mg, P_I~yS:U;';S~, pmC~j~ca~, tnSle;" ~rLQ ~~:J:: pro~~e:m, ITL}' .-' _Q~_·c . :1f--y~~I;~

'vanab1e-s of mhe process such as temperature, con,eenwathUl~, elc .. ~ ,are genewaiUy not ".~ states, of tile' empi'ri,eal model (,P,aJik,tlT~, m 999)"

Another type of model i.s ~e ,'mD!ful nl' .hybrid m,(Jd.e~,;, 'The mixed models, a1i'e detv,e'loped,;. as dle name' sueg,e,s,1S, by (ombini~g the :funrllam.ef1lltal and e:mpi,ri:cal models, 1:hu, utilizing the k ....... alif't"" 0': ,f' !L-"'t:~:t.. _ A:> ,e' -'!ii'll e.' ""~mp.· !!~_ ~~<lI: ft'r'1·'''"'', ... .:II 'ro- Q' -d' ~~I]'l,.iI:·Ul; 'h-., ... bniques L'lI'!i rill, been !I'~iE'_£IId'l t'Jl'II, model ,tL~ Ut;;.JJ ... ,~.I.LlI . U\i1'UI." ,.!) a,u ..• "UI _ ~ ... " li~llL"", Ill.iiO!i..tiU " .. _ ... !Ii, "''''C ,~--vu., . ~ Uu.','"," I[J"!;.. ,'lHaow IIU, !!I.-~"iJ ... _ "Ih ••

,po,lymer,iza:ti,on reactors, The' mass balance equatloas for lb~ '~U am d~elo,ped witbi:n t~: 't~n.dammtaJ modelling approach, whereas th~, unknown mt~, of th,~' reactions '~ald!nJg iP~ace ,are: moo ell ed 'within the rtmp[rJ.ca] approach (,A:z-e'Voooj DilhmJ ~d, ,Omve-i11\ 1997)., For :more:

In.€o,mtt;ati0 n aoout the 'hybrid model" the ,reader litt~y eonsult the 'VitOdc :p~e,selii.ted, by PSlchog;las Mtd 'Ungar (1992),

The mathem8:ti,ca~ m.odel SitmeJ~ures, that ,are, developed ~.Il several c~apte;rs, of ~·bis oook :for' many :1l,onUnear e~m.iic:a~ precesses ooJm,prise o.rdillll1Y' ,cH'fferentia_~ equ;ati,ou in addmon, to ,algebrai.c

.. ,t-',·· J . ..;1 :', \f ··t-/· ,t,·· ,jj.i.. ...:11 .. ·,· ,~ 'l.. 'h·vl " .;c I ehe "~-'-1~ , , '''4,11 h~v· t·

eq,wMo,nS. rn CUJer ,,0, In _!I!S .I_ga"e !lone- Ui,YIlat1l re ~ 8i _ UlUI' Oill ,8 c ennea ,proces:s<~ _·_e:la,_ e J)

slmulare the resul~ng 'mooelUng, eq,uaUo:ns" By s'/m'ult1te~ we m,ea:n that 'the: transient response of 'the: state varia'ble~ can 'be found by nwnericaJ.'Iy :sohi:img, me differenriail-aJgebrai"c equations (D.IA]~-s).,

Copyr·ghted materia

'N·'''·''·"I'C',ji: 1h'!!il· t· ... e nc nllnea i!' di rr.~~Ht'~'QII·I' Y'nd· 'finr aleebraic ~A~I~ at"; ons cannot ln aeneral be, ~o'I'V",:.J,

II VI I ~ = ~!l _I;~b"lr I~I II , '!i.'M. IiJ. ~~~l"!!r~'~l~~~. ~".,_" ~,. ~~.=I!r~ ~~~u~ .~.~~_ .. ~l~l"'''~ _~Jl~~~ ~ <I! ~~l~ e !M -~~ •. tI! ~ _ ~ .J. ~

alla]vti(;.--ny:~, Seve;nd nem ~r'icad 1:echl,'inues. 'for :sohthl'D' ~he al,aebrnl't:;; ,etl~adGns aJS wleU as ~he

•.. 1 'i!' [ .. ;;11,,[ .. ,. ... - .-"'~" .... , ... " ..... , - '"'"11]".'" ,,~- ~~ . w--Cl .. - - ._. ~- _.1 _~ __ -~ •• _ _ __ ~, _~~ _.1 --.~ ~ --

_~,,JI.~~,_, ~ ...:I:·N",_~,_~·t·"-'1 _·.,··~-·t·"--·_ ", ---. -.' ,--.1J-~--·.L.c1 "_ 'c· h' ·t," AS .' .... 't',.,._Ji ' ... \:"·'··'·s~I" te. .. lve .. ,orumar.y Ul!ll,j,eren.u~ equanons ii:lire eX',p,laiU1i:I;;!U In, ' A1Jh~r ,.,;", ,n.' niO ,'~ 'pre.llo~~~,';;. ,,:'_' SQ', :e' ,8,

p:anll~ ,(Ii Iferentia] eq tlati,c~j fiBt tt1~· PDE ls converted to a. set of m-di nary diffe~renU3~ 'eq,~t~ons. Then we ean I!t-}-,,,,., an ~nn~n:riQt'.;l!: SC}'I',I.,~'i,o\rru teehnioue fer sohd.l:lO' those erdlnarv differential ,iii !!;,oU V"!' ~ Ci!. ~e~le.-c!l, wn Wt',I",~ M[>' ~ ~~,n·'" ~ . '!.!! ~~ l< ...... iI;;:~!!,~ ~ ~'"l'!;>!. ~ ~I ~ - ~ ~~:et' . ~ ~ _ _ _ ~ ~ ~ """"',J ~ ~ - ~ ~ ~ ~ ~~ ~

en uai:iorl~-

"1 •• ~. ~.~-

In (!llme:i' to perfonn the: s]rru.J~ alli:ofi of a pr'OOess fililOd~l, the :foUo,winiS, :info{ri][Ja~:ion is req,u~rerl to :spec:if)i': h;d~:ia~ va]~es of the depenlJent varriliab~e~ lncludlng the values (;f Ihe 'i~puts, as, tilltn~,f(n~-: ,;-f time and ct)IF~an1 P a-f'mni1i ~Jt,·~rs Toda,\!= oom'''u1~1i s~mll~ati:on is l~OO ext;eills:ivel~'

.. ' . C l SO,.I, e,., a s ,. '". ,l'l ~, • . .. - ';J'; 1 y _. .1 . L , •. ,.1 "... . .. . _. ',J

to. ana~,rze the ,dy:ruj'r:I~cs, of chemical processes or li\d in ~'.~t'e: design of contmllers and study d}c1r effectiveness h~ coneolllng a. 'pr[Qce;ss", 'The meeds of eom,p'llilrter :Si:rliUJ]3truO:m are dlscussed in detall in the :foU,fiwi'n,g, text,

,~, UIE O:F SIMIULAIED [PROCElS ,MODE,I.

A model is nothing more than a, mathelnatical a'l~s'lm'Cdon ,af ,an actual :pr'Deess. The ,eq:uatlo~ or set: of equatlens that consist l~el~ n~athemati:~a~ mode'] dQ' n.'O~, rep:resent e~t~;1' 'tlfu~ real process. 'In O~t WOlrd~} the prneess mode'l cannot' hlrCorp:nate all 'Of ~lte: :f-eatur;e.s of the true :p~., Again,., sometimes 'the s]mp~liitled red~ed-ar-d]e4' models aJie: ptefene-d h) develop for arvo:id~n8, the co:m'n]e:dtv ,Md co:mf."il!Utat"o~a'l load. However, if 'few details a~ illd~'~.ded ~.~ the m adel one nms

.. , .. ',1:'" .... ,,J .. I . .., . 1:" .... It . I., . ,... .,... . ~ .. !" II. ., ~ (;1 .I... . I. .". tI. .. 1 d. .. ,if!! ,.0 e ill 0 . " ....

~be ri's,k of mi'ssh1p relevant nroeess ~nformlth}:I and 11frte resr'i'tatllt nlallii't model does not n-~ mote

.,. , .. ., , " ..... , g .,. ~... . ,f:" ... . , .. ,.. I, J.I ..., . II .,' . I .. ,I. t' I, ,... II! ,. e , ,. ;Fro.. , 0 e

1iWnderstand.ing" If' too m:a~vy detal I:~ are i neluded ~n d~~ l~(]dl~;'I,~ ~h~: model may OO~Qrn~ (i~rl]y oomp~tcatoo, and difficult ~o' ul1der,:stru1,d",

'The pr-ocess model can. be used for dle followlng !purp')~s::

.' To ,im:prov/J understanding of t'h~ pro",,-e£s,,~ The process behaviour' (bow 'fJ,e' 'process reacts, to various. ~lI!puts)1 taIl be in~resti\gated by the' ,c'Om.puter s:imu]attO:l of s, dynmni'c~ precess model, This te\1h_Q~q,lJe 1~ useful before: t~,e' 'plan.1: is a:c~JIru8U.y. OOM~red, ot wlThen It is not feasible to c·~· out th~ dynamie expenments, in me 'p']!Mllt sisce 1be: experililenwioJ'i, ]S lisuaUy ',,"'err' co:stLy~

.' Tv tra~n' plant' ()pera;ti,.~g pe'r:,Yann-eL; . Assuming tbe pr-ocess; simulat:or as. a, real :p~a!f1itj. n~any reellstle situait[ons are 'ini1at,ed,. Plant operaro:t£ 3t-~ tr:il'inedJ to famlllarlze wiJtb these problems 31]d how to tackle she ,e:me:rge~c.y si.tuardo!ii1.5" ,A.gain b;y inte:rfiud'ng the ' .. reeess shnulal~;~![" to . ,t md :,~, ... ··t' .' .. ~ ".iI.o·_-,."." ~:, .. _. _-'~I"i ··:"o':-·~·:·'-~~I'lil~.~--ii':~. -- b "" '. t_A .P- __ ~ ~ ~ ,~~~.~~ ~,~'-. Q~ ~~.s .aJlJl)UJ C'Ofl! roiL ue'YJces!, [t, .readSd,C enVI,mmwleIlil can ~e cr~au;:'Y

for' operator ,trnirlin,g willdl0ut the. QOSt.~ ~lt exposure 1:0 dangerous conditions, 'lhM, 'm~ght: exist ln ,an ,act,UQ.l pi ant situatlon,

.' To design the pro,re..~s oontf'ull:f!;r;" The dYlmsm ie, process model may 'be e[nploy-ed, t~ devellon ap.:prot)riate. OOi],trom:~{r settinas, This, can 'be done e~tber b~!' direct ' ;~v'~" ... ',

it'" " 1:' ~ - ~ ~ ,~ ~~, - ~ - ,... ....,. . L, , . J I" ana -',.l',S'1 S Of

by ,computer :si:mula1'iQil of d!te· dynam..i~c: mtKlet For some precesses, this, a,p,[oa,~h Is very US'e·ful, s~r:lce it ~s moi: ~alwilYs feasible to' :perform expedments that wo~Jd lead tn, better oo~tI"QU~r.' setHogs. MOifeOIVef;, a proeess model, pem:1,its to desi,gill dJfferen~; possihle CIlfi'tro'l oo~fig,l!l'lld~on$ and to ~!,eet the best :ptdti lfig, of the 'OOfnitroned v,aiiabie vs .. the menipulated variab.~e.

Copy" 'gh ted m a1.eri a

Th .", C-B··'·i!'a"':Ii'~"'T'i 'math .... ~ (!I,ol'.~I,1i"liI ... !LF -1 .... oi'I ... t:n~ tIo root '~V rc,iili:1.:"i1··~tt!l·d'I~I\I ijri;i",i""""''Ii~~I:n'n: the :d' istanee '~~~~lD£1in

"Ie ".I.:;II"""",duu, .... " ;vy, iIi';,'" !j.!;!!!j:!;-"'J' ~il;,l'",Qi!;II"o,,,,, !!;I!, ,~''''''I;;I''' 1!;1,.... , .. tf' ..... ..:'I, .... , l~',l 11I)I;I.l,1,' .... n h"'O' ,,,", ,,1"'"' .. 101 ........ ~,~n' """'" , ,

,~!Il. - 1Ii'i,~~, .' 'Co' ',' •• ,', \'iIi:n.,· ,. ,+ 'lI" '- ..... ~l - - '" --'~I~ - • "'", _,_"...t 'jih' :je' simple DI ~;PIi"I;oPic(!l,1 m ~'--h~ never '1-a~~~

!.!!I!!I;'e~ lIn'O guesses, TY ,11,en an ~n~cO'~ 'con~m ,~ .Ii 'l;;.!V1~1 L .~,;) au.s,:"·' "11O'I'JIU"'-.I..I,, "", , .. 1 "",",, ,.!AJ ,.,.,""' ~ '!o!\, ,n .... iii ""'.'

H' I .... ~-':'.i!ri.,'"'" '!iii..e, "m"'~:l'if:'il1 :d- 'PI;Io"t'iJ'b'a' ~~\.;. ,olf'" ~:b,,,", '1:;!t'·I'j:'Iii:j;;<:';lil· ..... .,. 11;'i,-;: .... "tijnli'~/ .. i,c, '~"el ;I!I'I""w .... ;F'.'I'UarA!~,f!nf'l-t1i, me,. J\]SIJ. it ,UW"'Y"'il;t. 1~11 I_I_.A&~~ ._,I~'~ ... _~" y., ~~~~ U,_~~~Ij._.UJ",~ ., ... ~..LIlI;~J.I·~~~ I ..... u_-'. ~"y. .. ¥Yt .. [I"I!!~\ .. ,~~=~ ~~ ~'~'_ ~ ~-_Yjll~.

is mD~: easH~' extended to nruhivanab,le S}"'items" '

2.2.:2 Secant Method

("'Ii' "]i)'

~I._.

~ - '.'

No.wtak,e the poli~t ,o'r' inJ1~rsectijon of ' the s~1roigfut H~.e 'w,i1ih ~he x~'i:s as the ne~t: a"p:pl1{)"~t:n.tjGn. 'j! .... ,jllL.-_, "'-~,1·' Tj-:r:"'1]"if'Ii'il'r(il"J!, the aext :i:il!p'lilrO'x'irn;8~~on '~,~. - 'we need to form an PiIl_1.ififi. ofs1rai~kt.

LU ~[~e .ro~~ ,. II"') C.~ull~'l"~~~'I;! l ""' n.... , ~ ;/r~ ~_~ _~ _ ""\Ii:~ ,~~ ~~ _. - ~ ~ _. -"':I, ,~I

li:Uj~i0 as:

(2,.3)

(2,.5)

'This, ru$ called the Secan;' 'Of the Chord' method and ~hls alppr.oach lnvolves irerati,n,g 011, fhi,s,

.. _ ... ' , c' ." -- '." II! .:k·. " ~,' '. - -- ,." ", -- n': ~." 11'1'" . ,~" .. ' '. t·· .• :'i:., .... ,- ... ,' "jII-h:>" --, ,. r. ' a .. " '--1 '-I '.', irh ", u '-I' ........ -Ai

process Uit'lid~ me guess, IS SOli u I:C,1em,~. ,), C"~fose I~O ~A':; roo, iii, ,18, nu.menC-a, 8_1go.n,.m. ~,S 1 By Q.!;~

,gmpbl-calUy in Figue 2 • .2"

lif the: approMimatioru;, ,aN, s,wch that ftA-:i < 0" then the' approaeh, as represented by

C""i'i!'il't'·l:i'1;i1'1 (..,' 4'-") cr ~''''';I;:~iI'·lo-·'n'-' (" r:.:'), '·I'~' '1"''''0''' "i,':'i'" ~:e the '~"Q'J~'.Qfi:..-:IL~J:f.;""I!'i!' '0'-(' R-'~mJ'la'~ ·ti~a':J'~'; m atl;.-.-iI. ,~wu 'VL~ \~.t .... . _'., ,~,~~,., " ,_.1;).: 'l _~ .ru;1,l n'~,1 iUIJilI LI,~ " P . ~_ r~,I.lI.I;.~1Ii '." '-b.J-.. C ~;t: ,. ,..'ll~~

S.iMilar 'to the Sec"mt method, the False ,P(l~i.ti:OB a'igorithm alse uses a stmight line toO' approxi,mate the: :tunctilon in the local region of :int,erest This tecib~i,q,1!!le~ ls U ~ustmtcd i~ ,F~,gure :23~ Nom d1iat tbe main diff-er-c:nce· between these' ~'() oonve,rg,en~e tl£cihniq,ues is, that, the Secant method retains the 1]1.051. recent: two cstim~te--s, wbU,e ~'he~ F:al;re P'()5:iti.o~ .eo1hoo :keeps tffite; mest '!reCent

. '~ ,', . 'd: ,~ii;." . ,', ',' '"," :'h- ,. ii;., h . " .. '. ,";1'. ,'i·' ""':-h' r. . etion .'1:" iH="f"-' -,',

esnmata ~Hl, l!I!~tll. next recent 'on~ w. lC!l!~ ~ as, an OppOShE s~gl:l U'l ~ e lunC~O.n vame, ,oweve:r[ii

,this, appr''O'aCh 'rna:y 'pril)vi!de, a, ]o:wer ,and UJlcerti3l~n CO"V~rg,ellce :r,ate: caropa,r'cd to the Secant

Copy" 'gh ted m a1.cri a

aa

,ililliit.

I '/(,x)

,-

FIGURE ,2.2 iflustralion of time' Secoot n;,e81od.

,

2'.2~S Ntwton,-Raphson M1ethod

The N'ewtctrRapHoD. m_dl~d (Pin~ayson, 1980; Go~dftln~ 1977) ls '®hoe most common and pOiPu]ar me_od fot ,sohf.ing nonlinear aJlgebraic eqeations .. Thi~s ~temuve; !Con.verg,enc1:: algorithm, also ,kno'\m as N'ewtoimJ~S me~iIDoo., can be derived fr.,om T-ayl.'or ;senes expans~o,n, of j{x)::

If we neglect ill] terms of ,ordeF two and ~igherr:" Equation (2 • .'6) y~dd5j':

[(x) + ~(X),Ax"'O (2.7)

'x

Copy" "gh ted m a1.eri a

fer) .ax ~"'='L:"> ',,'

'" /'(,:.)

(.2.,8)

here cf" Co al(x)

were', f" (x.~ = - '-' ,

, - - -:I! ,,' ,)' a~l'

We, need. to ealculate the guess icyr X' at ilemdon k -+ 1 es a funetlon o.ftbiG value ,at, ~terado.n, .1 by derm.i~g:

,8 Xi-T 'i ,~ X't,!-'I - :ti' As a~:ume{l ,h' - f(xiJ~ ~quati:o.n (2.:8) i1ves::

(:l.9):"

.a-

(2~lO)

t, , _, t' = f~

e- "l: 't-.I, - ,.'it I' ,;:

J~

'The above eQ!ua!U~~, represents the ,NeU'!ion=RnpJr~'()n couve:rg',enc::e ~e~ilod fbr a single-;vari,able 'Prob~e:m., t;q_'Uati.oi], [2 .. 11) may also be derived frlom, the fonaula o:f' the Secant method (Equation (2,~4)1) using the following 'fi.n~te difference' appro'Nimation

(2,.li2)

}{x) I

The' Icxt,em.i,oUl etthe 'N'ewtml!-Ra!p~son. algorithm to r:rri.dtL'Vadab~e ,systems ls fair~y simple and slnJightforwardl. Let us eensider a m,ulliwriable s,,ystem, represented by:

0' )" '0'-"

~,,;:I, I ';;;;;; "

CTl'l...'·I~ i]t!lII-U-'~I' ~Ii'i.n' . ...n ~ns- ~.:;t" ·0;' ,,,,. ,,,,,,,ii" n;r:' H F>,n~'~'Ql';'IFi;I·1C' ,w' lth H """~n'I~;b'lefl' (."", ''''', ' .... ')1 O!i;L"

,.~ll -~ .... ~, !LI ill '-I, ~ _.~~~.~ ...:.~ g. 1~"'1 '!bif,_ ,~[~, ~~,l~".~_J~~' ,_'.. J![~ 'ifill ~._III" a ~:A":I, A:J~ •• ]IOt- ;r.'IIIl'r .. ~o!"

Copy" 'gh ted m a1.eri a

" .

o .0

to?, 'ii .;'i,),

~ __ '. II ~ ,.'

Ii (.if!,~, -1'2 '.~.,', ;lin ) f~ (.XI !, j;',,!! '! ••• !, X: .. )

.:iJ ".. iI'!-.

- . . ~,

t. (xI' t ~t'-'11 ! • ''''t ,x: .. J 0 i

:,!p. ,I ,_ =1 _ ,_l

Tlkj- '-'" _' 'Tl!ivl'o'r- ''''''oii!..ia,e;, ,~i"';e'" ,iiGQ, r e"" iL:- r.. "",~..., .. neal ..... ~t:·I'niIJ' ~:l._ .. , seeend ' ,"""""'d" h'·I"'U"he~ .. d 'cr d, !""r'lv,!:i,-:'I''llift

~,ll ~ I .... .,.,} - ~J llIi.Iia ~ '!f .:JI ,I. '_ JJ:L,j'r ~1,'~,'liP11 I ~""]t:Y"''I!Ii _', 'b II!~~' 1~'-!-.'!YI!lI.... U,JI,I. 'C I j 11'V11. , .. ~ _ U! J ,,-'w.

terms' -, , as' -"

J ,. _".

' .. _.- '.'

,f,' (" + A_') I( t, ) ~'~ dh (x) A , ,0 .1,f,:t'· ,~,~, Jj1\,l Ii' ,Li :"\,., LJi'x;- .... ' '~' 1(J!l; ,

. j-=<I ~'J

The aJoo,ve equation yields the following matrix 'form; I(x) + JAJ: ;;;; 0

--2' '-) (::'.,15: •

(2.,16)

b ~!~ .. , _f'L.~' •

wnere, ilili .. e .,at,oiJ,I£ni,i' matrix.

,aJi. _§t.,_ - - ,all,
ax]] t:b:2: d:itn
J ., . ,.
,_ ;, . p.'1i Ir.
,~, at ~
[~I , . . .
ax~ aXl a
};' -
- i!'I A .... , ,_, _ T-,j tl.,) 'U~ - ~ -~~~,.:

To obtain the gue~ for- x' at ite'mtior.t ,k + 1, :EqU\atlon {2.l7) G~ves:: :~,!iT~1 = 1::,~: ~ -=Jet -1 1('*)

(,2.IS}

Th -.,

~,!,-". IS,

R.emem her '~ha;1: ,II~ is, a vector' of values at he:m1;ion k. For a single v-ariable Si,y--sl:em~ obviGusly Bq,ua1]on (2.'~ 9) y~elds':

'... ¥ flt

'""i H = ,.,,~ =----'=

,~'-,. ' Ii'

[fro'in Equati:o,liJJ (2.,]] )]1

The Ne,wtoft-iRaplimn, method is very' ,effic,i'e~t ilcmti,v,e 'OOBVcrg-emtlCe lechni;q,u:e ,c"ompW'Cd 'l-G many other simple methods, 'Ho.wev.ef:" at; each step, this, method req,~i.f-CS the. ealeulation ,of ile'

d.-:iviII1' lve o'f a. ';::.,.ft .... t;i"iiD at' th' ''''' P""""~N!i;!!'llI!""" po~n't' W"h'1'C"h,' ~c not tIi;'~lwa'!Us ,!!H:!IIoI!'''i.!' It' Q;'I ~l!'I; mill,'\.!' "-" .......... etlmes ~-.!~<:M-I~·!V .... ~ ~"ILlU.11N.l~Vl ,:._ r l~::llIWt~I..;i~~~~', ... mm, "_'_: _':t_ ;I!!.l!', ~.' Y~···~··-:.;i-·'~WiiII).'·~, 1,11P1~}~~" l'~""~: someu ~~

lead to stabiUty problems pmticu1ady if ile liJnc:t~Qn is strongly nonl~nea-r and, if the ~nHJal guess ts 'Yell}' :poor~

Copy" 'gh ted m a1.cri a

This is an it;emthre con.,ergenc.ce: method (Jai~ Iyen,gar and 3'ml\ 199;$) bM~ [OD second-degree (quadratic.) ,equarwon" Let: us consider a :po[ynomial of dlegree 2::

(220)

where, pjj...,JO ~)_ M 6n~I~, Oil!i'l" 't-~·~"", ,(J'I';b~~ rnlnrm~~rs. '~'n this eenveraenee annroa'Ch three

- ",..",,! w!L"" .... 'I!J"t ""'I 'IiII,I\,:II ""2 !RI,' .... ' _Jil!,,,,.,, I!;!I ~""''''''',} r~''''''"'~~~ - -' '-~ ~~'~--- ~ '-.,~~- - ~ - Ii!lr' '-- ~ ,,"

'""""'I'I'I"'~' of tbe 'nn''''nO'''~'I!I' ,""' variable "''PQo 'n:;·'.:. ... ,,\ .. ,d 'l' .... f.... "'" andzcare three '!iIP--P"jro:''''~n'II'''''~:]·'o',"e ....... """"~'b!P!"'~ ~,;, __ ~Iiii' 1~~d:I!; ,~,~'~~ ~,!-. ",~ ~l!!I!c~"'" ~ ... :et.114~~;;I'~::-, ~~ -'!oj-.~, ,Ao.t_~ ,G.I,I __ , .... l: ,iIU~ - _ t[~ 'C:~,~ ,,;II .. !UlI.GJII ,~Ui:) LV[

the , ... ..,...i..,.~1 '-', -~, ,,~, ,0' '1!; '~ 0" 'T'~', -:~''''.'-'' "- _ nd ~ ,''-1' , ~,"'- - ,', ,'" ;'-" '~i'li._-, I": ';1'1'" ,-" - ,,'- " '" I'd:"~t· , ' ' ,"

me ~U,'aJl! .root r '01, ,J\,X' ~:" =,0 oe .. m ~ aI, an,_ a1~ we ma:)l' use illJlj],f 10" .owmg, con mons

_ '!I!

Pl:,~~: = 11='1; = GfJ.X:i=:t, + [a:]X~:~':l + [a~

.Pk ,= n~ ,= ,~xi.' ~ tilX1\ ~ ~ ~d then sU!b:sti,tutijl]1_g [a''(h a'il anA til, in :E'qu3tiO'll (l, .. 20),~ 'finally 'we: [Q,btab~

l ). (.it ~ )rii:'=~l'}('x =' "'.') f.' ~ (,,~' =' X,t,=,'2}(X ~ ~i:) I'

[J\x. ~ ~~ . '. ... 0' •• 'ii~l 1-" ... ' ' .... " i;t:-:i,

r (-til-,:l, _ ~il'~~ }(-t~~2 '_' ,xl' _) - - (x:t.~:I. - ,x!!; ~'2 M.l);~l' - Xl) _ -

(,X ,_ ,Xt'1_'2 Xx _, -X\t-I ) ,f' n

-If - .. '~-I ~~"." '"'"i1 "r. ' " i;~ ~ U1

(Xl =, x~:~~ )(_l:.t; ,= X\t,=-l)

:In, Equa.truQn (2:.21)~ 'p,k,--'1. iOIJ p(x.:~'- i)! Pk-I ~ ,I<X*-:t) and. Pk ~ P (x:~). Bquatlon (.2L22) can, 00 converted to:

("" ")c"'),"

~I~~~ I

g(g' +, git) ,I' .. 8(g' t, 8:f + 8',l'-iJI 'f .IL. (g' t- 8'1\ )(8 'T Ci' t- 8';t,-i) 1,e,: =, 0' I.e, "2:")"

J,t-, _ J~'-'I ,,' "ji: =': ( ..... .;;1 .

g'"'_,1 (-tl;j'_II· +~)~) _ c., ~ g'~ r';'=I· '~ .. [, Pi;. (g: 'Ii;- +- 1{,:<'-'I) c~, .

_ ~ ~,L..'" _' ~~ _ ~,~'~: e- 0~, 11'1, ~ ,Ill I.'

:1 :2, .1 ,f. . .~' !J' [ ~ ,n ...,;., C... +- i'H~i;. + th. _ r iI:- = lj!

[III. ill l!I! .. Ir.

t'2'24,)'

'\; ~. - I.~, ..

,il* -Ai f~-i = ,a; f.~-:I -I- (~ -+ 0t,) fl~ c~, - ~ f4:h:-'2: - 6kf~-~1 + it}Divid~ng, 'Eq,wa1:ion (2.2,4) by A.~:~ we: obtain

where

(2~i2S)

11.,[ c'£.'\ \V~.!Ii!IUJ

Copy" 'gh ted m a1.cri a

ThiiJI seleettea Aif't"'ha CtDn 1!11'11 ';I;i'li.oe diM'llo.:m ;:na:t.t:'lll:" ;·In 'C;n'I'I8'''~Aft, C" "'ii ''''i~'\ shou Id '"""'" ii!!IUi'.iI!.., ., ........ , ,'_ 'L._ .. "\!.,,,", . ,:.w i31~i; ~'.IV~~ V., .: ,=~ ~~')er-~ ~~ ~~ : U~~"~~·~~~~: '!Wflv~1 ':, [~~~!I._Iv.~_1l ... ~'Ii~Uj. iIJ! I ~ _~. ~';"}u.~li,J IL-ll_1M 'ili*,'ll~ U;H;~

smallest ;a!bSiO~ute 'v,alue.

Recall '~lie assumpdon~ A. = gIg*" U implies,

1',' "'7)',"_-' \L.L ..

Y'

,x

}('d FIGUIRE :2.5 n~1 of 'tile Muller method.

(2.28)

This equation represents the ,MulleT' method; .1.1' is illestrated in. ,Fj8u'r-e~ :2. 5~ In this iCOn.vergence apprOM~!, the next appmocimatio:n ,t,t+ I is, o:btained as the zero of the second-degree

.... ~_'\6 eassin 0" oI\''L.''''f''~,~,,,,;i'll th ", e noints (.... '.' ,f., ) ('" :',", ,f. ')'" end I:,,,, ,~:);

i1i.-<Il;U, 'I",,"' it-. . b IIl.!lITU"'"blI, . " 1;" ..... , - ,:U ~,~'-'I2.!!' J~'l:'~ ,Xj..I~!, .I,,t:=l,, '1iU1 , "Xt;. J V·

To, ,obtain an, 8Jppro,:dmate' root of a, ~l)nUnear equation, the 'M~I ler :me~od 'Uses, a

1~1'I'II ., '-I r-)j hI'..... ( n .. ~l..,.~ rf: '\ h +l.. "N- ., .. -........ R h ;i<il.. d-'

:POllju,om~a", 0:. ~egm' rwo 'q,'UaW,wC equanoaj, w J.U!f!1S tne "e-~IW~~8p, son JjDUh~~O uses, ,8),

' ....... ainhil' -I lne (~ill:'ll"1I!Gir' ~n~liliati:"o" '11) F--;' ... ",.~:I!' 'r:oil'-.c. of 1I"'--.nt:ll"·17~~Ii1I""~ "I''C, :QIfI!-h']' ~~~..J bv the '-M"'~'u~]" er ~jI!!~i~,~..:I1 r.)U Y.I,i6J-1.'Il- ,_. "'_IIIUl~'W'-I:I, ,.;0 "1,'1i.KII. , ' ," ~ "Q;;II""':Ii ,I,~W 'V,' ......... ~~'II,'. "",.='_"!Ii~"",," ,,;j iIMI.!\ " .... :y~, ',j! " .... ', . '" JJ" '!Io., Uli'_"ll\ll!~

eomeared to '~t..;i!!! 'ji,.Jr~;V!.i.f',.;.;"'=R> Glpilf-J" ... ·n metho 'd'- wh en ~L.,:" funetiens :!iIi~ iL.~n'h -[V' 'i':'!~iI"~i~~"'~a:r'

" '. _ =,~~' .-. llai...... ~~ ..... _'._ 'UJ.lI11-[ J' w, I'·.u~ J , 1"" _I. '.. _ I. !V< = U~ .I,W~'lir!iIUU''tllll1J ~'I¥' lIll_~&,~"_~' 1Iii:"'_ll~' ~~~_~l~jlllr.i '.!I

11.3 MUME.CAL IMliEGUJlOM OF G'IDI'NARY' IDIFflRENllAl EQUATIONS:

,("230)'"

. - -,"

Copy" 'gh ted m ater] a

'~a

I~I

IdYl' ( -.

~ :;;;;;. y~, ... :C')

. - ,fly'l r(x:) - Q(.1'),12 (:~)

_1.,- ..

dx ' .... - - - p(.x) "

~S~imUn;I\'~~' :1!Ii~1 ~~...,..[·..1er' :O-D, 'E' ,"",!liD be ,...,.d· ~11.I"ed· '~:O':

_____ -'-~!.M-,""i!! ~Ii "Y!~-1!.I"y .~_ ._"" _II __ ¥ ~,¥,_'"",,,,,_,_, __ •

2!!111 E!urlJ MIU,od's, Cot.sider cOO OD'E w~th the fQrru

(I'~ _ 'l"'l)'

.OI_~J ,

where. "«x i). is 1 I'f1IiI I , o;:.neml'. 'Ci ~']/"IIi1I,li'nlPa'r '~I~nl"!ll~ and the i""ltial ;I"!\~,'Rd::'lfl:;i"I;'n '0"::·[ 't" 'I'~ 'QC'~ ~O-) ~: ''i'" ..

~~--~~J\--, - ~~ _~Jl~ [I:t~-~-----li' ~ __ ~.iI~~~==~ ~11u._=:J~_._"-'~~ ~"!!!._ ._~~ _~I ~1~11!._,I!I-_V .v J l~ l~ Ai.1I'IJ ~'!., ," r.\.:O

'o';;~' h' 'riIi,-e. t = ~.- 'C' .... i'~ "".t.]! on ll")__ '3'~~), - ean 1:--"', ~-O: !I ... ed em po: ~I .... vlna the 'L)~~,.q;, m > ..... 'h- ......... ~, ~,.:n,41;i.tt.:.n!'it W' ,,t.fV!i!'

Qili, _ ,1,I!Io J V'. 'I!..o'I':'IUU -,'1;;1' ,\""'~ __ oJ. - . (}II; a __ ~ ~ IU, .. _ .', !l:u"" " _,~, . UJ . c .... [ ... ,., ,- 1Lii~, U!U II!.!:J !!-w~ iUidl .... '1,\ '~--':"!" ""-"

namely explicit approach and h:npl[cit :applPOac:h.

,~_l:"":'" ~:IJL...nftllilllli~' ~~!Ii' Eu-IC'f." Ip-""..,...,rill

- -

1;----2: ~:4· .'}I

\1 .• _J.i t ••

if ~ ~II'"

it ittl,P~]cS,

w~ere" I!J, _; I~'i ~ tAo The ~:ime ~ntremenl, l\J Is known as the s,;:ep siz-e or .iH,:egra:lioN' ituerv:al:. We can reammg,e Equation (2",3:5) ;as;:

That ,~~

(d:x)

.x:L - t ~, ,1:'1., + ":,.;, [. ,~-:- '.

- iI!o.·t - -iI!O, _,l:.,:Y. , _

',ill'.r~, tiL~' t, J' ",~ J

(2.37)

Equati'Otl (2,.36) or (2.3'1) :rep:res~lllts the ,1iXplic,t;' Euler method. Th~s 'int,egmti:ou. approach is gm,phjc~'~ly UIm;tra1;ed in fi:,glU'e 2.6,. From. '1~{lJ: figum'~ it is, clear ~at if 'sU'ffidenttly sMall jn:t~,gtruiQ:n :s1'¢p size: ,M is tak-e;f~~ the estimate of Xi+~ will be ~T<Y' close to the correct 'value"

Copy" "gh ted m a1.eri a

:Av.:

~, =I. I~I- , ' r) - ,_ "1- ,Jtl- ."X", • I, .

...;pt .-,""'"

'Uli

_,J',_

~2 /: ... , (-- -- .-)

=,:::;:, " ~ ,X;.- x". - l'

.dt':" - ~,'!' ,;;. , .'

(2.3.8)

(2,.3,9)

_ " _. ' . .-_.( ',dX. )_."

x~ It"+~ ~ X~t: -+ ,M., , :

1+," "-- dr'

" a. '.'. ' ~~,., "~!I;" Ii!; ~,

(2.40)

'T-~~' 'EtiJ;~ljJj,"" 'l·n·t'~'O'MIit1'· An' ~nnro'-, ech , ~i1' 'e:'~'mll'iIII']V simpl e te ~Im'p~emllll:n" for ~n'lv;i~n even - hi .. 'h lv nen-

_ ,~l~, . :l!.lIlL~.."., ~_ l~~I~ ,\I,. !UI~'r. . UIir. " J.d oJ.\.'I,~ .~. " iI'-,. ,~_" . '-If. II .. - 1IJ. , . _ ~', = ". 11~" ~".~ ,1_ldl~-c' ~I _ 'IY\ I ·_:_~~l'-=.l IIJ!V.~,~_]

~inear' mu'lti.vnriable complex s,st,ems havmg, a ~arge nember of 'O:DEs.

/Ot, t)

1

x:,." ~ .. ,.,.'.- - .' __ ,. ~'.,-'-,.' .. , .. '-~"~

... r ~

i ~ ~ I i 1

i ~ i

, ~ ,61;" ,

~ i

.lmpllclt iJJ. 'IPMH

This apprnacb. uses a backward dUJercnce ;appro~mation. and, acco:tdjfigjJ~ Eq,wWOt:i, (2.33)

'.

01'LN1i,;,"

o-,T'\iP.LI.

(2;,,42)

D'.Difi_nn1i1'iil '_' ~ , ~'-'-a, .... b tdj;Ti ,[\;_,I"~JO"'~ W1r,. V,!.GU.I.

(2Al)

l('? .A~4)···

lililll+'~ _,

Copy" 'gh ted m a1.cri a

,(L~ ~[O' .. ) ..

.. L • .J -._

. .

Consequently; x at '~e midpoint win be ,xA' ,+ (;4fI2,)k'l!' The :ne:d step ill,vo~.ved in this. :&ppEnach is '.e e\i'alu3'Uon, of tile: deri'\1ati;'Ve (slope k£l at the m.~dpO'l.~l; wbic~ impU,e-s~

( ,M' lxJ'~

,":2: = / x~ +"2·k'~,? ,r~ + -2 ')

finaJly~, 'dle 'va'~e: of.t' at: the end of the step [(step size ~ ,M:) is [estimated as! .x~'l = xi + lMk3,

(2,.5:1)

(2.52)

The second-order Run,ge-Kutta 8lJlgorithm consists ,'of ,EqUi.ons (l.SO), (2.S 1) and (:t5:2)+ ''Thi~

,." .-t .. ~:ti. - t" .. ~ ..... :: "". - .... 'd" L.""H~,·· . -' " , t-'h . . ·the· - . .~ ·f't-· 'E'" " . ,,;:.. - 'd'" b: t- ,.:i.. '. 'E-~I '

In .. e'W,_I,on .ec!IEU.U.Qjue PfOIVl es ~I~"""I, ac'C~racy .an.. .~XPdCt., ,U.le[ me'IlIUO ur IIlIIJe ,'UilleI'

appr-nac!h. runs almost twc, '~intes :faste,r.,

,~:'-iI'''''''_'''~' RIm~U:tf.I, ,' .... ~.0'Ii_~

ruur·" • ....n·~ '~ ~_ "_ _ ~J~,.j

The oonce,pts i_orvo]ved in the ftmrlh-otder Range-Katta arp,proach (Lapidus and Se~i1feM", 197'~) fur e5rimat'i:ng ,Xlft,:i W'(:: ouallned below, F:i:T\S~'~ t'ne initial slope ,i'~ is 'Used to ge!iu!o11Jte a fitst, estimate f'Or x' at the ~idpo~iIDt (}.e." ,~~ + (A tl2,~)k'll)' Setond~y~ .e first estimate of x is used ~o t: d- t'll-. ~ :f.. ..... th - tid - " t 'S"'" b - - - ""1- - .. .. ~..._.l -. "d' _. . ~ ·it . '1' -. . 1:.. ".. .. ~ ..... 1- - · ....... d 'kot~ Llln u me siope ,i!\i-J ~ . ie ml..:.,po~lil. _.U.·.SCQjYCrh:_y!, a eorrecreo :m~_ pl'm,: s ope iI,~ ~s e,YiQJU:au;;, " , "J'

usJn,g k~" Slope k4 is then found at: ae end. of integl'at~ol lfaterva1.. 'F'~naJl,Y!, a we ii,lht 00, average

f !iiI!. II ~ d - 'L -" t, C' 'm • - r- 'h" h '. TIl' " lete e: .,;I;1ii. ...iI

o mese SlQ,Pes is, usea to Oli!ttun the dn.a~ esnmate 0 : x~ 'W ne ,. 15 Xi+-!" ,I] romp .'ci~' :lO'u~-i~~-OI'uer

Ib,Ulg.edKufm aJgQridlm 'Consists of the follow.ing equations,

[from, Equad,o]} (2+5'~)J

(2 'C4)'[

,,' i!ll"';' ~',

(2,.55)

C· ' ...... mn.Anl'!l;,., the ij:'irIc.l" ..... nd-order 't.Ion..J1 1".,j;"u.".<l;-_"",-.l"'f"' :--RWl' ,-- i£iI~U',[~u ... ~:Il"- ·~amt-c~"'!"n-: 'flllii"rt'i~, ...... ,'h~'" "[t: ,'I~'" ~"''''v' 't-·,"'"' ... v.,~_.,t""rI"T.r.~~-c .!¥. ~~Y.\I'!lf y_,Q¥.l ~~.YJ Iy .... ~-y[(]-..", ~.~ .. ~,g-'b----=.~j~~~ ~~.j~1i;r.~ __ -~y.'" ~-rI.L~."'"\o,"'~" l ,a ~I.r.· .-Il#.'

observe that 'tbe compte-xLty as weU :as, com,:p~~i~llru time increases M~ the FQc~e of 'lJhe: order. To obtain, greater aceuraey in estimntruoil, the, fQ:W1h-o:rder Runge-Kinta me:thod is pref~md over the Ewer and th{: second-order ,Rtml',e-Kuilta ap'pr-oac-hes" The fuunil·.order R - -- '", -. "KtlttD, 'me*od req-'-lres four den van ve evaluations eomeared to' Mlu [OJiU~' fQJ 'il:e E:n.ller

.. iUUg,e-,,,, ,.. it! , ., , ." -. '- "Y-'"""'" -~, ,I; ._. ~ .. ~ _-. ------

'-'-"-. 'O;D-"~ ,,,,~, ,:-- -=--- '-':".. ..,", . '1bI" .' , .... ;ft. " ·th· n E'" .~I- .. ,I,; ' : ,1m' : ·t' four times mteif than this

per . . ,Eo W ev.e-zy nme step, " .. ,er;e;LOOO}. ., e. Ithef iI;!IliI,go:n UI.m IS:a _.os" 0 __ ~ _~ _ .'~ '" _. _ __ "" _ _" ,1 __

:li)uru1-order scheme, Nottce that it: is stm}igbtfon.vard to ~nd the Runge-KJutta 'medlods fOr m.ultivariab~e syst.ems.,

Copyr'ghted materia

33

.

.

I!!II SUMMARY' ,AND CQMCIWIIOMS

II EXERCISES ]1

'2,.1, Use '.e Bisection methodl to flnd a root of

l't -) -] ''''j;..It' \.t' - " ,_ ,.:o;e;--'

to' two sign.incant: digits.

2,.2 Find the' 'three smallest posi'rive roots, of

f(x) =: X - CGttx)

+'0, :'!IIiI:'Ii ft"" .... II'rDl'I''IJ'' n;f--' ] fIrF~

'-' __ W~ W~L~~~;J' V.~ L! VI !ii'

'2,.3 Conslder the f'OUowMg, :n.o,nUnear mge~c equation ~n 'find. the; root

f(lr) := ,il = :Sr + 6x =, 'm,

e mft~.n,,,,i"n(]l: ,~,'ii., ... , - --.Y _'!;;l'~ -~b 1!!i!I1!. ...

(i) Bisection method O.~) Secnmt method,

,;2,.4 Find die' mot of the iQ1~ow~m.g eq uations: (a) /(x) ,=, x3 5'x + 1

~')' --,f( "'J' "" --"1 ' ,

',III. ,.J\~~; ,"'- r~ _ ,

using the

1""11 'IB-'" ·l-' .. ' .......... '·I-'O· '11'11 method "t'l ,~ .. ~,!¥, I .. ~_It ~ " ,t;;"_I~llN

(~""\ F, ... ii n. ~-;" -'L .... ...41 lUI = aise ,i!QS~~10n. mellciJ..N

(";')" s·: " ,-, - .' thod ",n,. ~ -eC-WlI m,el' U\i.I,

{I lv) N' ~.'."i'i __ 'n aphson m ethod

\' , _ :. " ~WI~,I.I, n.G, JLI;:]i'Ui,l, _ CUt ..

Copyr'ghted materia

34

,("Ih-iL-...' p-,~ JI ;II,.....;r""li'Inn, !!:I''''''''' ~~""r'f,n;~, _~.IJ.n.,I~\';-j.t... .. ~DJ~'-~: 'l~_~ ,11I'iI~n~r,. 3' [Ii!!~.'~ ~:'IiI'J!II"~!I~lI ~r!l~ r-!rII-~ 1iJ-~ ~

:~t5· Find '~be: 'root of the 'fOU~'Whlg equation 'U:SlL~g, tile Mu]~er m,Gthoo: lex) .= cos (x) =. x~

The In]t:ia~ ;appror~ima'UolThs ar>e:: .t~ ~ ·-1 J)~ .x~, .= OJ)~ and Xl -- .~ .0.

1~6 ;Pcrfann 'l~~~e 'itennioms· 'w;ing the· 'Muller' ulr:·l!hod for' the foUolw~[lg. eq,uatioM: (ai) xl =. 0.5 ~. OJ ,lb .":;; O.O.~ .~:~ ...... ~ .O~ X;2 ~. 0, s:

(b)1 tog:x·= x + :; = O~ x~ =. O',2S~ .x~. = O,.S,~ X:z .-. '1.0

2~ 7 Use ·!he. 'fbtp'U~i:l EUJ]e;r m,e~iod 'to solve numefi.cal~[y the lnitiaii valR~ .,rob~em

wi~ili~ PrJ ~ ] J) and At' = 0 .. :5 .•

l;1 Considera fi:ffit:~rde~i' .~~~~ rep~nUn,B,

,fh 2x

lJt 'r

So lve this eqnation U$~~,g th~ iEx~pmi'eH. Euler :~iedlod. and the' fourth-order 'Rull!,e-:K,una :l]l,~tholi" amtd ihen 'C-)QOOPaIe: the results ..

~:il'",·r-'~I'I;'" Cr :=; ''::1' ~ ~~ ;if!" =, ~,_,O,_ :;;IIiI'ji 'ill~~' = 'J c._

Y .. l' """ .• 1", ,;.'I;jlJi ~J! "WI Ii ,J!" U, ~,~,1Ji ,i:,;LI· ".'lJ/,"

dv - -,

. ':or = 4 ''1<1' 6 --,t

-= . .7 -I"

ai' .~.

Solve; fMs ODE tiIJpl.oy~ij~ the RKF4S aigtnithm with.)\) [g 'Ii ~O'i 2~.l.O Ctl\nJ_sid~ t'be: sealed poodamr~rey eq'~laUQ1lS

dx

.~l. =: a'l (.1.= ,x~, )xl

dt' ",. .".,

:dx1, .

,.~I" = - a~ U ~. )j',] ).X1

.. !!liI1

(3) Solve i~,ese coupled eqlla!liO-l1ll:S ii1sin.g. the 0) :E~K'p:Hd~: Eu~e-r- method

(li) Sec:tliltd-order' Runge-KuHa. method.

(", i .. 'ij; F·· ~..... 'd'~ . ·[R·· .. .. 'U' ~ - . .. ·t. .... ..J1

• .LI'l ~ 'OU~ Y:ilFOr;, er .un.ge=.n..Urtta metlWilLUU

(b) Inves~igate: the: e:[[ect. of iniual ,coi1d~tions on ·the. '~;pOtie: of. ,l'] and ,x~,;

.Q'iv~'IfII~ ·a·· = rv =. ·0- ,iI:' ''''',. .. ~ J~' ...... . - /iIo 1';~ and A j! . .;;,;;. 0·· ~.

.'~'- .... !!! .. ~ .~! ""':2 ,.J, ·...,·1,0 ' .•. u~ ,.,.::to !I.lI! •. ,;} !DIe' .~ . '. ,.;;i!' •.

Copyr'ghted materia

II IEFERENcitJl

BurdeJt,; itL~~, ud Faires, J',~D. (1 [985). NWntfr:ical,,4'nui},,sis,! 3r-d ed., Prindle, 'Weber and SchmhiJt~,

Boston, MA..

n"':i;~l' . Ill' M~·.···.· '0, '("1 1\8.41)'. N,":~,j~.ij.....ii"''''jJ·1 Ld./t.~:-i .. ' 'uc'"!,,41 f;~1''''~:'::'',I'';illliU fi·~- •• ,C·<h.'- J';l:i!iil~,"~""l' ·~'~(fl~d"""'"~'. ""'d' l<lIdl Jo :'hl"i"

_'~''''_~~.I '_ 'A!~" _ 1::?_iI1t', .• IJ_~~.r~~-,'-,I-i&r.'M' .. ti!'¥tf.1;; It~~Ui~. flU; j!ttll~UJI:i . .I;iI'~n , .. V"lI' .-.-_ ~iI~,,!I.=W_, .&."iI,IOllliil·I!~!I:r'l-il'~ _.11 I~ ... I~ iJ.l e , IIILI,

'WU.ey &" Sans, New York.

Fehlbergj; :8.., (t 964). ,2. ,Ange·wundllt. ,Alalhem'. M1!ch.,,,~ ,44~ :11"

fieb1krg) E., (~969). Low'-oroer C~assica~ Rung,e-K:mta, Formulas wi:th S~C'i,psiu' Control, 3ilmiJ t~,eir applicatlen ~:o some heal transfer problems, ,NASA' Teclmictl,l ,Repo'r/~, N'A SA. TR :R,·3] 5:.,

iFioilaysnl"aij ,B .A., I( 1.91,80)1. Nanll.'neat' A,;wIYjl,is ,in Cirem.ical ,Eugiti:ee'ting, 'ru S~: ed, M'cGnlw Hi!.l~ 'New York.

Oear~, C.:\Jl, (~,19? :11). Nmnt-rical InJl1a,1 Valu"e ,Prohlem's itt Oriltna.rp ,D,fffitNfulat Equati().tl~'; '~~t·I'll"e~~'q'5jII[ E:i'I;o.'le~'~~""~"'" C· "'I!I f"'1!'!. 'N··.' 'Ii.

,f""'I,'!I;;-JLlL r1ir. ,H~IJ '~l ," 1Jo· -",,1tPUlIj ", - ,.~l3~ ,,' "JJ"I

u~~dsljoo:t. H'~H,. ('[ 977)" ,A: Hi.f,1'fwy of ~VumfJ.,j,cal.Anal,sl.f fro,,", ,;JUt J 6~h~ lhn~' ,the' .1 !j,lh C'eHtU1Jr~ :S:prilllm' Vtr1a& N'ew 'Yod~.,

(Ju,ta_" $,.&., ([ 99;5), ,Nl~me,r{;~al m',t!l~ods for el1gim~ers" :I. :51: edL~ 'N'ew A.g~ Inte:ma~ ilo~all~ N'ew 'De'lh~.

Ja1A" :M](~~, Ty,engar, S.R.K.~ and J.'a,ln:; 'ILK., ,('[995). ,NUtiMt,icat ,Aletlloos ,fiJr Sclen.lijle u!!u!/

~,. • C-' ~ .,;, L,_,jll d 'l.~' A 'm' • 'j 'N" D 'ih~ ,. ,~ngln(u!:nng [' . ampultlt,J[(1ri, ..;J:I'U ec., lL,[ew ,.,ge ~.nlema1:l0nl~I,~, I. ew ,. ·.ei t

Lepidus, L.~ ud Sei'n,1\"e:ld,~ J.B., (] 91 1.)~ Numeri'Cal ,S(jo/uiiQ,Jl of Ordinary Diffeter~tiCJJ ,Equ(J'Ii(}f.t!f;~, ,A.cademic! N:e;w 'York~

n,;~' ,--- 'fJ -8 ']~ I£Hi'P') A:' f. ... [ ... ~ . .s: .. -~.,~ ~ ~. '.', ~",~ );,]". ,-' ., .. ~.<. ~ -I; li .1-, 1'~: • .;ji, ~'ii r"h~" "mi" =1 E. ", ineers ] t d

,Ngss" ,,II',,"::' • \,~ ;,'QO,>" -a ,," ,ltJlt1'Jf,.J,u.cl!On 10' ll"',JlJ!lU:~rlc:a, ,.Ilfj,ft,U!)uS ,J,vr ~. ~,(;c,_Ca_, "ng~,.e_:",~, S.' e,~ '!'

''fexas, Tech, 'UI~~ers\i~,};' Pre.S$~ Lubbock, TX,.

Copyr'ghted materia

C1.. • - - ~I ., "'.. '" ,. d .. I . 'A... ..:1 •

iil,e:rrU.ca~ reactcrs are very umpo.~!t 'U!iiIJ~t Ope:ratlOiu m ~11 UMr,i!!, praenee, 1 ne rcaC'~IO:f1L oceurrea ~

iii reactor CW] eitber g)]ve offfi]ueat: (e.JtoJluJrm.ic:} OJ' :abso'm' Ilrie.a!t. I(,e,mrotn-ermic). The: reactor 'is g,e~e:rlUy ~se:m,b.ledJ w.iJii, a jacke~: or coil m ,~Nleii:' to 'mailn!ta~n 'tile :f\eac~io'n 1:etml~~ 'pr.,o,p~rly. If lh~at ~s evolved dUe to' ~:;(otbennic ~~ri,O:[lj~ a Ico(dant ,sJt~am, is mqllU[rod tn pass t~roliJ;gb, th~' j 3{'!lk~l (er oo~[Ji ~,o' remove the: exira heat, On tbe 'Qm~r hand, i,f ~ndotJI,I~~nrric; reaetlon oo~~w'S, 111 the sys,1ernm" 'the t'1ow OIf' a be~'l.iIDlg :flill~dh~!_m i~, o~fIi__£idered ~hr'o!l,gh ~he: ,$-UWTIo!mf1)ded, j ~u~lk,et (or mmlmlersed COIU) to ,n]aJi.ni~;a[nJ the R.<a'ct'Of;' 'tt~mpemtlJ.re ,i:U: jts ~ltpectOO value.

The' mnge ,of 'fcm'il!5, of cJu,~,mJcaru reaeters 'is :50 wide tlllat: it is :rea]~y d:~ffitiu!~t: to establish a c[K01(pl.ete!, .5ysre:l1rmati,ic cl~si:ficat.i.on. Howe~et~ ~}e primary ,c:l~s,:i'll~ado~. 'c.a:n, b~ 'ba~d ~n the nmnibe:r of 'pb~~s; to< 'be imfVo[ved .. When ,only QJttJe phase is, Iteq,uiud.! the system is ~[d to be h()i$i,()g;~!~~'()~'l9-., If :IilllO'm tlruan, one phase D1r,e~ preseitl~'~ the system, is a /w,t,flmgeneOlls' ene,

Tb~' leb~wn~~al .r(~aaO'J"S ~~o can 'be c]~si:l];ed, based en llnn.e feeding mecbMm'Sifili as: b~ucJlj semi~teb and cOll1tLl!I:ucou, no,w reaetors. [!~ the batch ,re:(JC$(Jr~ a (;eriab~ am{D(lUnt of mQteii31 lS, £ntr-,odueed flirst!1 b~u: therre !is :1]0 mrtlliie!i' iIDl'l:1IlOW er QuUlbw of '1WiI~~eria:]s ~ ~,¢ ~ea'C't~QI1 proceeds, For the case of ,Bemj<. .. .b(J~ch teaClor:~, ,rolTmC tGm~o:ne:IiIJts, Ire e[tb,er' fed ~1lIJ o:r w~lkdraw.rilJ M, ih.e ire'aict~OD, 'OCOtAH. Th~ ~l'm~ 001.'lti~m>!'lS flfJ~~ Til'QC!.Qr rund:icates that tlru[s, R~acitor ~ 'Mth OQfJllilllUOUS flow 'of 'tie~ctatU::s and

~!rY!l;,il.'U.d:Sc•

ChdlWlii,caru reactors Sire tliSliillJl~' vessel tvne, "Filil,ere are t,,:yo main b~~c: vessel typ¢ reaeters, w,h.i:ch

~. Itl;;:,F" , ~

~ d~i,gfID~d as ,tt},ni n'acJ'(j'''I(~9 l'W11ik) and ill.blltar reaeu» (a, Jli,pe or u~beJ" B\at~ht> s~mi'·i~~lCh ~~,d ,n~u,y 00 ntil1JlU)ws' '~Q'W' reactors aJte g'enenUy 1111rnik reactorS". Ph~g flow fe,fi,c,tor (P'FR) ~s :ao 'examprue: 'of tu'buhui' me~or. The 'tubu~u :re,a,cto:rs are o:per.-a~:ed ionly \\l~itb a lCo\Tl.tinllGiis mode, Iildood~ ~be'fe laIr,~ 'tw,o dli'strund ~$, ef ~reactol1!i "i~, cOllflmuQws I'rocess~s: continnous s,f,.:~d tank noctol" (CSTR) and 'f,R,.

Alsl))~, we: nUl)" ~Qn.sidler-1he foU,O'\!irm,g, t;Ylpes, of reactors, Wb.et1IJ ~ rea~tor ,opernws, ,at a CO:Mta~lt:

.iI... .. !Ji. • .,;, - .' ll.:tl .1. '''' ,r, - lI'f-' -'i.' d - h '" '"

tre-m,pe-faJtlue!, wueJ[ I!l!!!!i!;!i[ ts ca ~L,JI:as tne ,1$.'()-I'1:erNjQi reaaor. ,!I:. any f'XotlweOO.lC lor ern: __ ot . _emnc, rl1iilCnOf:'ll~,

Copyrighted materia

l~ the present study" we: win deve~GP ,3) :mathemadcall model fO'T a oo1ch reac~:o:r; n~~ dy~~fic s,'imu]~ti OID 'Of ~.he~ process m,ooel 'win also be ~ne]uded ~n our stJU~,Y:. :[1 ~s recognized iha~: th ~; "Co ." l-c'l~t( . b .<~.,.iIJ.;. ,- eactor svst ~"' ~~' -lV~d-'-' ,- I '~'~Iile--:sti'il'" chsllense 'in thet the s,"si,e_-m has

.. e CDn _(0 o~ a .. are II II reac~.r sysem, pro ~ ~~es an ~n __ re-~ _ ~g ~ ~ ~ ~~~,~, __ lg _ ~ ~'~ _ ~ ~__ _ ~_~ ~,y- __ ~ ~ ~_ '~~ _

no stead,)!' swte~, A lthough (DiUI:' o,bj ~ct~ve ls ng;t 'to design an ~dvanced ,oon.troUer" we Be interes~ed, to ,O(bserol~ th~ (:/()s.ed·kHJ:P' J?ft-JC,ftS5- re~pon.J:;e,I, ~" irnplementhlg ,~ cQ!ilven:ti:ono] ,pro,pO'rti:oM:],

,. ~ - II

~n1:e,gra'll (!prj Iconb"()', ,er.

'THE, P"IOCHS ,AMiD TH[I MDDIL Process DeRr'i'plon

3'· .,

:.':11'

• ..iIi Il.... h iIl.."'~, - Th ~ ,r.: M .... .JI • h d h ............ '11 ... .-:1

CQ!n~;I:uet a wtc'~ -, reactor s'~~o,w.n. lin ,P(glLlte ,j" 'II ,,- , _ e tea c,tor' ~s 'd!IJ~cu Wit a i1eac.i:m:I!t' anc t ien ~I;U ..

LThe conte!ll!ts of the 'rea c,10f' are beamed up-:-' to ~~, reaction te'mrpe:rature with saturated st.ellmJ

I. '~

su.ppJ:ied 1iI" the jaciket at temperature: T$.' Cnndensed s~eam 1S collected in a steam, tmp.. 'The,

~ ~ ,L , 1'·'..:1 ~ d TL. '" £:' d . h '~L "1

re,acuon :r;ruxture IS 'C'OOItiA'Ufi'U:s~y :stU'ire~, at a, dKe- rpm" -,I-~~e reaclOf is :1,Ule: WIt, a coo~:~ng, COl"

'~hDtlgh which chilled Wlt~f is passed and the e(Xm.hemlic heat ~is removed to mOiw~' 'i~e system! '~'empela'lure along a predetermined d\esired te~m.:pe:r.~'U:U!re--=ti:me 'trajecl:O:ry. 'To fo~mow' 6e prescribed

• 1....,"," h -.. .~I l' f h . ,

'~J;ectnry~ 'our',~ heaJung and coo, Jog or t ,- e ptooess Unl,t ts itec:es~!, ,

f;" ~'.,,~ .".'_'.". - .'_ --=

'! --

'Pf¢$:t1!lf(l comrol

J

'i;,.a;;a;,.;a;;.o';a;. .... "!1

II

S~:e~n sup pl Y

I - ~~~ - ---

r

CQIlI~ csieam,

FIGUIRE ,3.1 Sd:iema1it ~,epresmtatiM ,of Ile batch reador eocannpie"

Copyr'ghted materia

4. ~'.·1' •

. ~tch .FI~:Qt _ ~

Consider the 'fo~lowmg, eonsecatlve reactions that: take place in the' reacter; A ... :1', ~B ki! . .)c

I't is QlijiS-U' imed ... ~ .. iIi' A' ----5i. ~ 'l.. . ..",.. ''''c'''''''''n·· ·.J_· .... rd e~r.~ 1··~n--e~~;c·s:-, whereas B· _ ... F~ has fi ...... t-.ro-.,iIIe:r~ ilt";'ln·_-·e~]'.-.i" In

1_', , __ ~ ~.~ ' _~ ~~L~ ,~.,_, '~I ,1] JI-~ ~ _~~~_,JJ~~.~ _-_ lh~_, __ -~ -":__'Ii 'Jl_-~~g;~ '_ . '~' ~ _,_~ ~~',=vfJ.Jl._-_ l~~ __ t_:I~=_~~!! ",_I

•. t!.. ls b L. ' • th d '..41 d f h ~ i!; ~ + h + ~Id

'u~tS ~atc'~~~ opembQll\ .8 ~s~'_:~e~eslreu pm:_:uct e. I :·t~.e' reaet~(!In gMS, Qtl '~br a lQllg, t~me:l' t '~,e- y~e~',

f· d ".AI . C·· ~Iffi 'L..... 'h~ n't" '. , 'f . "h ~ 'I 'L. 'iJ!'

,0 un ,estl:1e:u ~iaste ,_ .. W~I!~ ee l ~~~:~. Aga'ln L ~ we stop the reacuo:n loo ear -Y~ tne 'oonve:fSion O{

A :may 'be \fiery low, In both s~tuat~Qns." tbe~ yie~ds, of des;red pKKl.uct B' are :Iow. TherefQr-e'~ there

:ii~ ,~iI'II' ""fi' •• Iit'ri~'i'i"i; t"~'~1ili; when ~'~'\i:Ii ' ..... ri st ~'~: .,1.,,,";; ,- .. ~ .. - ·~-t·~-' ~ ,- nd !Ii'i'~.iI: ,~:I;. -. !"~'I ",;;,;.,(, ~C:lr:' -··~·~n.~~··'t· ~ .f· d -~-~~r~ Iii:]! ;g~11 'Ut",nuU.1J nne w" en we "-"IiI,. is O'p UIC o:pera Jon an. bell me mia..'ll.llmUm amoun 0, 1e51iliCY

'product. This ~.im,e js known as balch time'.,

3,!'J;~ [_'''~J

.~,~~",~, ,~.~~~~~,~

'We mate '~fue fo.:llowi'ng, assumptions to de~:elop the process, I'llooet

'.' Both the~ chemical reactions oeeerred in the 'e'~'n,]e~, batch reactor; :a.~e ex:ot~Mic\.

r ' -

'. The react~r is, w.e:II,-insu~atcd SIJch that there is :ne,gJiglblc' h~a.t exchange in between ~he reactnt' and. the external environment, Some parts of the cooling, 'water and ;stealin sup,ply llnes, 'whJch ,are '~;(posedJ to' the ~nrironm,ent are also insulated,

• De inlet and oUll,ei1: 'oool,Ut tempe'rnt~res, do nO,1: vary 'much due to a sU'fficienU,Y f,~p'id

f1 t r . b ' ~ t Th~' ~ 'I ~ i>:> ~ 'T."

ow fa!}e 0:' ~e coo~,;m,: srream. 'c{, eretere, :an aver:age water 'CooMt~m,pe:m;~!uJiL';'J':,~, ts

used in the :mathematical moded,

• The condensed steam is di:scharged at Us saturation, tem,per,aulfC: (110 sUlbcooUng~h

.' We assume cG.llstant. volume (V) reaetor 'with cG.llstant mlxture healt capacity (C:p)-+ N,ote tihat here the volume' refers to the volume of reactlaa :m~xtu~~" not the' volume of reacu:u;

•', "JI1..,.. _c ............ r ,1N'i.,.",,g;I'fl"ilt,!:'!I!II_ 'n.@_S;B<"'iii']~'II:r- mlxed andd .... no' '1 ~v:~b:'I~'I;t (!"L!Dn~'IA'C"~:nt gradiems of

· " ,III!I .... ~ J ~'ru, ~1Il~IMWiI~~ u.J!\r.I ,lP .... lll:~I~ 1.1 [I j Lid...... . [_., ,Uu I ".. ~...,.., _ . lU I ,ill ,=--1.1I11'~1 IIioNJ!I,_. ", .. Gu.; , ..... ~1111~ Vl j

species c-'Om.:cen1rado:ns or temperatu.re in any :pmt of the :reac,tor ..

• The ,I)Vefa]~ heat, htansfer coemc:ienrt for he~ui~,g jacket ~ is M'S!1!.UnOO constant: but 'tile , overall heat 'tfBlfisfer coefflciem fI},[, the cooling coil Uc ~s assumed 10, be a, f(u:u::ti,o~1 of

.. ~

the coolant ftOIW' 'rare F'~ as+

. . . " .... '" 'c .• ,

(3 a .1)

AtJdsI~

The basis of most 'Oif reactor modelling ~s a set: or fundamental bahm,ce 'eq,~ati,oM'i These equations are mathemaricel siatemen~s of pnysi,ca.1 '1Iaw.s that requi:re ooMerf'a~:ioll o~ft' mass, ene.rgy~, mome.~uuit.li:! and quantities of partieulsr che;miCa~ species, :DemUs of Ute eonservadon principle: are provided in C h.ap'~eji' 1." The' basic balance equatlon is:

Copyr"ghted materia

4\~1 'tilE; PIOCESS AND IRE MO\DEl, ,4.2.1 Pr,ocess; DeSCripUonl

Schemnmic ,of 'tile, e(X Ml1!lil e eSTR process ~,5 d.ep[c:ted in ~Fi\g~re' 4,. ~ '. The following first-order, e?totlhermIct hreversible ehemieal ~oo, taka, place run ilhe reactor;

r, _. ~~=~=JI! C'q

:Tf

~

-- .......

1'.j".'

',',M

r.

~ _ _...,. J

fi

_.

,- ,~, B'

,A" ),

,Reactant ,A: is contllinuous]y !U,ppned to, tire: :rreactor with 0, v"Glum,etri,c; flow rate Flit 81, molar c.1u'K~en,tradon, (or ;compOsition) C.q 81ild a t.pe:m:w-e Ty' The contents of the reactor' are mmud 'with ft, :mo1orized agitator., A~n, [exit:st.read~ whleh centelns n, m~xlmreJ of 'both the' 'reat,tant..A: ;and. :~u:odud, B~, is withdrawn fli'ON the :~or conti nu 0 u£ly' with a. v!O]um~tdc, 'flQW rate Fffl a 0091- 'posi&ion C:_~ and a tempe:ra.re~ T~, To remove 'Ile~ ,e',x,othenni!c: heal 'that is gene.rated, due to 'the p~C,_cllbed. ,ch~i,ca! :reacttion, ~ eoou.Qg, Jaot~t~ s'Utr'Ocunds 'the reacmJ'. A QooLant stream 'W:ltb a, 'volumetric 'flow rate F, and an inle,t '~rn'~.:mture ,1'· ,(,<.,~ eentl -uuu.s]-'" takes out t'h' 'kW t'

, ~ - ,. ~ ~ ~ . ,,~ , . ,. . ,J . ~ ~ . ~,. ~'" ~ ~. pe~ ,. '" jl'lP. 'l ~,) ~ ~ ~ . ,Q, ~ ~ ~ .,.,. ~ ~ - -" ~ ttl! H. Jl

:mainwn the d~sired :reac:li:on tem~.,

4.2..2 'Malllenudi~JfIi'l M ...... al

-- -- --- -- -- - _--- - -- --~- ---~--

Auum.,M'

The :~~If'-u-'m: pt'l" .... Ti;~ m",~ .... ~.,.. in I the .Ae-lj;Co;l,o~ "''iifii~n: ,;. ,0- :f" the '("""'-'C- tor m :tj;.jII~'1 "'-j";,"- ~11~'m' :"".Ij·;"~d' below

t~ ~ .. _ I l~ V,II~ , I -~1Ir ,. U I, U 'I' 'IIi' ,. t""oIJ~-..r.' "U:I, "~ ... ~, I, ~U"'-', UI.I,~ ~WoI~IL, .... ,,1LLAr' I ~,U".

• The heat losses from the process, ('we,n .. ,:i~su~ated) to the aacs,phero are :n~gUgib:le"

• The 'mixture dJensiity [(p) and hest capac:ity (C07) ate assuiaed cfinstoot.

. ~

• The C001Wl~ is perfect~y mixed and therefore the te,'mperam,l'e' eVeJYWhere in the jacket ls '~~ same (ij)~

• The mass of the Ht~~] walls is negruiglb~~ so the thermal tnerua of the metal need not 'be ~Qn~id:{;red. It i~ ~enfinably a, ,good ,as~~n~,ptiQ!1. (L~ybent '1990) because the '~ ca,pac;ity of ;s,1ee~ ~s on~y about (t 1: BtulUb..JC~f)~ which 1'5, ~.~ (}m~ of magnitude. less th~n duu: of w,aler~,

• There are nQI spatial v8lriatiQ~ in, CO~~GilWtfatiQ~~, t~mJu,~,rature'~ or reaction rate: tb_roug)hout the ['G"'ac10'r~

Copyr'ghted materia

• The exit s.tream has the -" .. - - -.. .. "'"'"t· At· . -. 'to' . - tl,;' . ftiI\i . .-. ~I+-'- - ~ d ',. '." 'j. '._ I.:' ... " ,:_.:~ tn _' same 'c·o:noen"JdAo Lon anu' :e:mpem .00 as"ie 1e;111~_re reactor ~ulW-.

'. 'The overall heat, transfer.' eoe;ffiiclen.t (U,) ils assum,ed constant.,

I. 'NQ energy b81tanee areund the jacket, is Ciofliside:red;, Indeed, the ;c;QQWi;ng, jacket temperatme (1))1 ,can diIeetl,y 00 mall'ipu1med in, order ro control the desired reactor te,mperatm"e: 1(T)r

• LThe reaetor is 8, tla1:-'botto:med vertical c,y:1 lnder and the jacket 'i's around ihe outside and the lt~)t(nm;,

I .. "'" tie, I, tU!li~en' t, ,:

mll'l".R:l ",. • .. '."".11111., ,

'Tota~ Cnnti.auUy EquaUOID JF:OT '~ ,satnp,le CST£{,

,Mass, flow' :tlUe ifil1:O the react'or = FifJ~ :Mass, flow' rate O"lt of 'rue reactor '..;.. ,F"JJ~

:Rat~, ,of' productlon of mass wi,tiln '~e ~tQJ :_ Ot. and.

- _-_, __ '" "" .'~ __ , .. ,_ , ,n.·" " . 0(1'1'] d(pt\.il)

R~te' of ,accumulatn:m of mass VYJilil n the r'~'WJt.Ol1' -:' ': ',----- .......... -

a, itt'

Here, ,A~, is the cross, sectional area of the reactor, ,h the height of reactor Uquid. and. V(= A,JI) the' 'vo~u:me of reaetor mq;llid. S pbsti;tut~ng all fhese terms (massiUme) in Equation. (.3,.'2)~, we get:

d(pV) ;;;;:r:tJ',_ I;," p,~

• r~f.'" ,f:tJ ' '

dl' - -

(4.1.)

We :ha,ve a5'sumed that the deM;iO' ,of liquid hlS~d~' the ~t'o(r is eqaal to the feed diensity and is censtsnt in ti'me. Therefore~ Ihe aheve equa:li:on b~o:mes:,

dV -, -

~' =: f'_; '_ p.

d-'" ' '~ ,"

,_I

JV

,

r ,!:I€

,r!,;!, .

[frem Bquatlon (l., 1. 0)]

'iF'':'''''r- ,.,\i.·;lil ex 0. ..... p le C: S,c:T-R,'" '~fl!ojlll, '11:00' 'IV..... eeuatio l1l1I1 "'~i", 'L.,~, IIP!' .... pressed '[iI;e·' " ~L WJIioo' . !!'!!,QI,ul., .... 'c _.' "'~ l!llIilh." !!Ii, ,_, '!io' ,: '"1'!I.I!~", :~~ ~. I!JC ,"",II1;,r"'."'''-' Y;J~

til "1 \~~I-I

N' - .' _. - i. "E .. (4 '2')" r ' Eq .' '. '('1 9") d " fi '1'1 'b"" "II fi '1"1'

[ - c .• " • - "" 1 "'. :. - I' -L', I",' I ",' ····1 I '1 .... .. I' . . ','." '.'" '(";1 ,·,'1' ,; •••• , : .~ 'il ," '. . .... ' .. ,,' "'. - I "".' ",.

ow (nser.tm_g, ... quat~on-; a , Into ,- ,,~IOn. "., an, . rearrangling~ we ,lfm. yo tam, t;e 0" ow

ing total mass balanee equmion;

dt 1\,

(4,.3)

Copy" "gh ted m a1.cri a

Componeot Co:m,tiDuUy Equation, 'We' :ImGW~,

Frow' :taJ1,~ of component.A i:nm the reactor:!!!!!! F1CA,'fo FI,(iM' :r.a1:e of cemponem II 1(~l!Jt. of the reaetor ,= F·,fl';'~A.j,

Ra~~ of' ,g;enemtkul of: c~m,po,ne:nt, ,,4' iby chemical, reaction g .-{-=t;.rJ ~:r:!, and

'Rate of accumulation ,of 'OOm{t\nfOJ~H1I' A M~.h~:~' the "~a~,~'>' =' ,d'(VCA,},

" , , , , , " " , " , 'F"" " ,I [0, " re, c: o,r at

:Here" (;_r A~ is the rate of di~ppe'ar,ance' of' species A" Subs~:i~lut~fll, alii these renus, (moV~:hi1ile) i~ the basic balance: Equaltii(tifl (,3.2)" 'we obta:in

d"V'Ce, ,),

, \1' .... ,ii,. ~C'!I!' p' -: ,£-~ . '·~.I' ~, ~d~j""""'~ ':""'" :=: I"'{' e~f '= ,'" 'o~ A '= f=rA )'V

(4A)

~'-h ~ •

I J, ,~."

matis,

d"J" A'C":

_,' - ~- Itt ','.'.' U,,: . ,AI , . ti- ...... _: '.;.- :' '. ~. " ... :.'

C" =+V~,=p,C,~ -PC '-'f'-r.)\1

- ii\ .. .,,~ ,~:f I ~ ,~ - ,~~ ,4 " A,"

ul U;I:'

Substh~ting :EqwaUon (1 ~9) in :Eq"wt~ion (4,~S)1 and s\im:pUij;j[!g~ we get

JC't., = ~,~. (C~f -, C ~." ,-, (-,rA')

dJ t\ch 'I. '" ' ~'

For "ii"',"'" [!I! ' •• YMI ,i;Ii'rC'f,: ~~~"!' 'IiA"JII!~~·I·'Ii"II:'IjlI" ... .4 ,~ B" the . ~ta: or d is ,'s'P; iIi"WI;i'.i~ft~~ j','_', _ _ _ Uh.. 0" "'i!!~ I,b OJI'-u.Ii U-~~ 1,'~;g"'L ,Uili~" ,,t.:I ~ ,. ~. II U!LJI;i ,iii, , ,:JGI, \F ... all'ra.I.IIi.... t""

(--fi.i) """': ,K:"A Usi~ the ,A:rrhe:nmus mle~ :E:quad~A (3,.12)" we obtlin

i,

« E)"'"

(-r,}r.~'·I"iiII!!iYPI ~ 'C·· •• .,

,'"', ~"' ..... ~~ ",0,

,fI, "R'T' n,

01 •• Jl '

.. "., " .:

(4,,8)

'4" ,n) t .,::7

:t;ntrIY Barance' :Eqnatii,OD

I~ the en,e~ balance eq:Ua!tio~

Rat ~ - f - " "~. t i tc ;1;,,".,. l F.~ C" T' , ~,:e (it, energy ru..m;pu imo 'IL~UC' reac.or ~~p "P:fl

Rate of energr lOut of the reactor ,= F.JJC,pT ,i- '1J,~~h I(T - ,1j), Rate of energy added by the e:x"nthtmmli.c re-action ~: (-I1H}V,iCAI

('" dH)'V' ~, ('-.E .), C and

::::::;. "-~' __:_';' ,Qr~Jl:,p .RT .'" ',tt;.

Copyr'ghted materia

Here, A" is, the b~~d tmnsf~r area ud (~-!lH) represeats the, he-at of reaction, 'Using Equation (l"lS)~ 'we ,g~t: the following form;

d(V pC--T) ~ _ ('" -B)'

, , elt. P -, ~ ,,~pCp~TI ~ F~pc,/r = U~,~f[ -,T,l +'(-AH)l{,ae~x,p .,._R'T,."._,CA (4.,1.0)

U's~ng, :squatinn « 1 ~19:) and sim,:pl~fy~[1g~ we g~t

'Tb~s is 'the' fl'na~ form ,of ~he' energy balance equatlen,

We have' aHum,ed. ~at '~h~: ~x.Bm!p~e, CSiR is a fJjat-oott.amed v-e4rtical cyn~d~r and the' laeket is arrnund '~he; Dwi.de and the bO,HnniJ., "Ij"k ~~1I-,: ~ ~~~, 'j;. --t- ~_" .. ~ ~'~ -;r --, - " ls

J~- ~ - - - -~~ - ~-~~- -~-- - ~- ~-- - - ---~ - ~~-- - - -~- ~~_~ ~ ue.re_ou!, 1!llI!;Loe ueil YQlISI,~_ area _:5

A~, ::' OrJ~,)d'2 -t' 1rrlh (4,. '~2)

,il, :!!!!!: J' +- t'I!",.;r il'l~ .t'1Jj - .t1\it-, - "II" r;

(-4", ~3)

'w":h"~re-; d,";", ~~""; .d,'~la'm~~;p;~.a~r-' 0: f' .,~':'"" i:"\l'~l'l'n-'d, .. ;,,,,,~] reaeter M- -,""~IV reaetn ","C" ,"", .... , "''''''ll:''iI;t, '1''-:--'' do""; ~' ....... ·'·'e~' ·I·~"" """,.;,'Iy"'-

. ,fW .. ,', . [liIl! U[hr.' . MIll]., .-.Ii_ .. ,iii.,.. "J~IL 1 ,_ 11~~ao ll~'~_!1 ' _, ~~-I ~I _~~_.~.~~ ~~ ~I~~~[JJ ~l~_~, 'U[l~1 ~,~I(._.l~, _~ '!lLJlMlI .. '.

<'!iiil'j-'- ,- rid d., - I'!ii~ - ~ - ide --', ,~. "" ....... ~ -- ~'d' ,,j.'1\--"'-' bett ,' __ - of th . " ' -,~ iI' - . nd ~:L - , aroun , UI~ ""U~5ir: ""t iIl(Jll- '~,'Y'un, U!!tI;;, r)U_~O~ Q", me rea:C!!;Q,r, an_._ I,ue-II

A ~ 11!'c.-1 h--

Ii = ,n,U ;

(-4", '~ 4)

The mathern.atkall model of' the non-isorheenal continuous stufed 'td reactor is, composed ,of

th-- d b '1- t'" I _. fl" th 'I 'I -,. f t f'

. _ - I' , , ..... , - ~'I' .. _ . _'.' .' _ .. _-. ',", ,_ .' _ .._ .. _ \. '.' 'I .' _ 1'1 _ _ . . ,. _ [ . .. ...• . - _. _ ' .'

: ie mass, M, energy, J\ ance equa.l0ns!, .p us accessory equanons "or I, e ca cu anon 0" m_ e 01.

1 ---do-- d he "- 'tr"l'e ' , "A,' -', "" th -th -, b II" , ,-,AI", ,', 'd': :"~" ,t~" .. Ii-, -,' ati ," - - -("'O-"'D"'F', ')'

~I_ , n an _ nea ranster area..s mong.me "mea: Dee or'Ulltnary , uneren 1m e-q.'UakOnS,_ ',_ !I,i;O.S,~,

C',... II ti" '('AI ., ')" , " '. - -f-, .. , "L-. -, t - "'''1- ,-' - irall . - , " 'I L_~'I" -- ',' 'E-- .. :., '-' '('AI 0)" , "', " "''" ,~:iI. "

,~wal,o:rn,"*.J', rep.re£enLl!lo U.L@ ota or overan mass ~ anee, ' quanen 1.',"Ii".~ rnpoosen.~ 1!I!!li!!

component or partial mass, balance, and :Eq.~ru:ion. (4L]'~). :rep:rese~ts the, ene'IgY Gr' heat balaace, The ,suppoliti.ng: ~(fIuatio:n ('~t8_) :for rote of rea.clruon and Bquatlen t 4.1..3) fot [Itear lira:nster' area tan

_~ .. ~ , 1\

directly rbe: substituted, ~nto 'the' medelllng eqiilmtions~

1'h1 '- ~'~'. ste .. ,.-i~ ': ,- tat -'-I d .-, 'I " tlru 1 __ ' , .,A~",'i", " ' "-J -,'rt""-,1' -T:' (b,1-', ."1' ,,) '1"'.'" .'. ]-" ", ,!lolL, 'O'-'DE', '

, ". e .s_c!I;I.Yy :s~_t1: 8!11~_ cpera_m~, con.J.dl!;.!,Ons am .rfll"pO:_ -'.~ Ul; =,a!:_~ ' .... '. ~.' .to :s.o~Vtli uue_,_, __ '$';li'

the sec-on-d. .. :;!fder R~n:~K- tta k-4Ird~ -, (details ii_ .C" i~h:-·· ell' Iii-.,,,,,~, ~::, : ·.·· .. d. 1'11'-", ,,',- ss

_~_ _ _ ~~ _ 0", __ ~ _ _ ~ _ ~ =U _ ~__ 'I!~(L_ ~que ~!e~_ ,.S J] .. spter ... , II~ Iueen use ~, ~ ~~e process

sim~latoT' is developed ~.sing :Pcifttran (90) ]aWl__guage Md. is given I'll Prog~ 4~ I. In t~e

,-~,-:- -,.--- --~ ,-,-~_c_~''k,," -, ~ ·--,t'~'~- __ t" ,-, -:-1' - 'lb', , - '0""0' 'C'~ ,', -"', .'i.., 'II!J', '1-' ' -', -''''h~ ... AI ," , ~1 '. . ~,:·.il....... ~', -- ,t:i.:.~

,pro_gr;cnn!, anCn.lIlii:T op l.on ;o,su ve ,e·., ~ usmg me ,I!3U iiilliF mer .V'IJ,Ii ! S i!iJ5-0 prOVI\lI:II:U,. m me

si:m~I3'.toj'~ 'Ihe jacket temperat!i!lt-e {1jJ and 'feed ,new rate of flow rate: of 're-,a,c~:a~t (.P,) ,afe

. dered ~ .' bl d 'l.. -" ... 1 • ...1 d h .. A- ']1 'ill..

~Olil1S+" erec as, ~n'n~t varian e· D' 'liie',I'f Vi1JIl!:ies ,artie p-:rov'lUe:, at eac,,~, tLm.el' stee, . ctua ,}~! tne

lr ,I ,r

jacket 'te;mpera,1,~re and. now rate of 'rea,Cta~'t are' usually considered as manip~lated vmiaJb~e t: - U" th f~ - - d r "d] ,. h ~ '. - ~ - t';' 'I N ~ lh t 'jOT oOln~ro,~,~mg, tne reactor 'lempe::mtum ana ~H1I~u-· ,l~]g t 'In me rea.:c-tOf reSpf:C1ve_y" _ O~'e: '_G~a;~.

~ - ,'--: ... .4,- 'f' - ,--:,1..-,-- '-- the _4 ,," ,,-,.~ :- c-' . "~':- . ,.~--,- ,- -,- - ,~''''" - ~I" . :-." ~~ ,...oJ! ,f;,,- -~-, . -"-II ~~ '('.T.-:-:-: ~ (-d~i-.~~i '

In omer til) Q'U!5'e:rv'e,~!e, uy:marmc !p,l"o-C'e,~, .rl~pg'n~e.!, tne v,a~.u.e Q~ ;!:CI;U ",em,peraJJire, ,:___ jJ ', _ _,~~"ur"

'k '.~:-_-_ :- "I;-d' ·~-,'~-'t-.'I: ")'" ha '1,.-,,; ... c-;L-,._ .. -_.41 ;.,~ ihe - '·'·--'~,il,-t,-,· f--.'.~,~ "'iiC {",:ti _4'~,:-*,"1'~_'-~~"!i.~T"')I' ' .... uan!;;;C or ea , van:au e . as eeen cuangcu m _ e S,I.mu_,a or !Ii rom, ;l;"J.S eauy S"" if: Vol'lll,-" tV'

"?:~OrC:_

l"'U -,'!II

Copyr'ghted materia

Tabde 4~ 1 Qeady state and cperat'ing conditions

A,(, CA,



L-.tf

d

E

F~

h (~8ffl .R

eross-seetiousl atea of the reactor, m2:

."/"" 'nt;~f,"ctl J~,t " r the exlt heal' kmll·J CU,rI,CCfl." ~OI11! '0" Ipa· im ' .. , .Ill . 1 C, C-XI ' S , .0, ",0' rnr

,co']1c~n'tm~i~on, of A i!iiil tlb~: flC!i1!id stn!imn. krnoltm,J

- - - _. _-_ - - - - - - -'_ - - - - - - - - - - - - - - ---.~ - - -_ - _' - _-_

d 13meter. of the c,vHnw3 cal reaetcr m

1 . c • , '., • _ •• ..~ ,_,..., _ ,...- - ,~ _.

...... 'Yl

,a cd Y,ati (1)11 ellerg~I!, kc~lJkmol vo,I~l!imc:lric tttd :0 ~,\\\i rat ~"'. ml,ib

, " , ~ ~ ,~, ~ ~ ~ ,.0 , ~ .. , !;l:~, ~, ~

height !Of the lreactor ,I:uqu,id!, m heal: of reaction, :kcail}ik[llo~

un.iv'e.rsaiI gas: ,c@lns.'Uln~ .kcaV(knl ol )(1<) frequ.-ency factor~ ~r-

lR,-':~n'.]'II,C.11iD:n of' -m~x!iiu ", .d'- - : '-'~,--" .- rd i.~:- '0:1:-,<. k! ':a:'i~,f-mJ\~e'c, ':'"

~ ~~ u __ . p _ . ~ __ ~ ~ ~. ~ _ ~~~._. fe ~ern:Jy ~ ~ H~~" cap ._c .~~ _ ~'C _. u ~~~- ,1'\ . J

reactor t~m~ll]:m, 'iI"(,-:

feed temmerotuJrc!\ lJlC

If' -

txp

'l" ~

j ackel J~mpeLra.ru:rej, ~C ,

ove1'iJJ~ heaJ[ uans:fer ~1:1ld~nt~ ,kc.~'ll(ll1iil)(~')(h) h't~,g~tiQO tl[Uj~ bU(!'f\i',al == 0,005 !h

4'.:282.2

:8' C:£,"),ti."l .. .JU.JVJ

1 J O'~3" O·

JJ·,'a·~ 'Iii ,"

10.0

,"' '~~,~:2'. O"J

.-. • .Ji.:J~. . "

;C;l'I£O·O:' ~-:70 .. ~. ,"

1.981 :34,930800.0

Sl1iO 0'

, u.. ,~, ,"

38J711'l

"'i.;i:' 0" ~.Jl~._ I

'.",11::' 01 ~J~. ,"

70 • .0

!Ii'i'R',O' :"'G" Q A =M' <tl]'

~' .. '.-'.'<--'~"-' ...... ,

,OC C t'Q,S,S SeC t. ;1 ooa 1 ,d: r ea

,AHl ,He'~t t [[',~,ns,:E'!€!:I:' ,~, :t:"~~

iL'.& = COWlC€! [IJ t r,i},t,:i.o~, ~,f ~e act ant. 'A in U'!),fJ; 'E'}o!,i ~ ,~,t. :r.G',a.rri

(:',a ff. = CO:F.;IIC eT,i t roE! t J. a!t. {!i r~ "~'!ii:~ e Ii: ~ n! t PL :t r!i the, :f ee~, s t !["t~dID

~ d "" Di amet e.r of t.he ,r eact.or :Pi = Hip',e;j! f lc'W' ra It e

,~ ,,",,, tEe i~'ht G'! :['e acto r. 1. iquid ~!4i8 = Lei f~aw":!.:C?'

T = H~ ~ ceo r t,empe:-:( ~ t u re T f ~ :fe'€Hi temp e ra. 1:; uxe

'Tj :::! J!' a c k,~t: t:emp~ rat '!"l!:b ~

u x '"' (-~~'irZ)1 1-(:B.o'i;!i*G'p~

,~"If 'E-: ! ?,:

Zi 'Ii'I! Flf"raqu:~:nc y :f@,c til,J-JC

PROGRM CSTR ~ ~[~It rcrr '~lO~~

:::: ~n'E:G£R ~ :l: II1!,

'!'iil-T:f..G'~!R j' !P,~RAH~'I~:R :' :: Ii,;;:!',! Q [) 011((1 R:E ~t: :: T:f Ii' JIi.E

R ....... '~' p ,,~ !I'i. ~ .• E" .... iIi"r"i, til ":I' '5 ':!! ~ 'I" 1"" ~ "),~ '" "J ... #- l.rii n 1Wi. 0 ! )I !J:J.r."liu~, ',>"'!l['O,kl:~ .. c.. ,!I, 'L .... ~ ;::; ,~:::: L • ,.;.i';'I;:) ~".H,';";:::;:'~II a ;;;, ~.i ,i" j' Io,p',f;! ~=. v ,r V ,,~;~e'.-;: '" 'i;I,

Copy" 'gh ted m a1.cri a

1. ]Ln.:il.t,i.a.l jJ_ z.s ti on

:l=~--

T UJ ~ 38.1'11"'l'1 rCg; {1) - a. ~6,3!lJ3 :h UJ _, :2 ~ .33520].

Time (l'~ ='0.,00

=~~ ~~~ ~~~==~~~=~il

DO :f!1i~1 ~ n 'T'j ~mi) -zs 0' Fi ~m) ':o:'lIQi,. I)

-T,e ..",.,. i1i ':"'.J ~=LU!!!!,~

1 T '(m+l] =T ~mli' +d:t:lf ( (:x.~CB. h:n~ *,~x:p (-'':1 l t 2 7:3 ~ (HT I~m) jl ~ l ~ ~ ( (,M~~Aa) l & ~,~C'*h (roll ~ ) 'j;, ~ T {'rn] ~J.T'j (m:) ~ '~ + I[ ~'I'f'-'T' tmJ ~ ~, ~ Fi (m~ ! (A;r:~'l'i!, {'rnJ l :~ } l'

,~ C;a! (:rm+ 1.} =Ca tR'j,~1 +d t ~ ~, { ~ Fi ~m} l ~,AC!lf h {:r:r.l) ~ jl 'j!; ~ ea f -cs ~lITii J ,~ ]1 _. ra iIII'Ca. ~ m,) ''It' & 'BX,P ~-'Y! H~.7J". {Hi" I[m} l } V)

Iijfi'if'il:="ii" I',"" I

l~l !!J ~ l~l \lld_~ ~

C a 0 mea, (:rn) 'bO:;=,h, {m,l

kll!"; U~ 'ii'CaO 'ti!' €:'~P t, -'1: I (,273.,0 +i!\(JI} ] } ~ ~: ( ~ ~e·' f~c+31 .. 1 ~ 1.5 9';;;'d t;:1hI 0) ) I ~ ~AC~h(H)~' (10-f] ~:m,l ~ ~ +.- nff-'TCq ~, ~ F'.i. ~rn) I [A.c~hO i ) l

Copy" "gh ted m a1.cri a

I!.~J "} iI"iii" /- I j""'l"'"'L ~' !i l'f'j f'i ~··L-.·O:·I';"""'\ """iii O· ""',

,,...hl'::;~ \,~ 1.. ~,m~ . .F!iF61 ~ ~, '~ .. 'U • UJ[ ,[~I ,~:'A~~ I J _" '. ~,~

'T'~ ='1' [['m ~ -+ ~ :k 1 '''''dt /.2 )

c:~ 1 !ll!'Ca, ("rn.) T (k:ll iI. 'jirdt l~211 b,h=t!), (m,~ -+ ~ k12'lrdt:/2 ~

~k2= {X ~ Goa,1 ;!; exp ( ~.'Y: I ~ :21' 3, '.' G t:T<l). )1 } ,_ ~ '~ [~Me;i.: ~:A'CH" 3: " 1l,!j!.1 5 9[~d ~'h ll[ ) j ,~ tA,C~'hll') t.' ('il"l='T jl [J'ii'Ii)- , F + ~ ('f"if'=T'l) ,;;, fFi im~ I UV::'lIih:t) } '~

l"",' J',. ", ~ f!'" r; ~', .) - I d' I," '.!r. iLo ''lll '"

~a! tm, ,:.:, J - .... 'a, ~,.m, - \.!!o. _, ,II";,;;;;' .I'

'k.~, ,J;' 'ii ~ ~'i.., ~ '~-.-.r ....i'I';'" '.' k:"1o -; '~ ,[,~ ~ In.,.. JL. ~ =.[,~ ~,m(~ ...,.. lL U !i.'_ .''£.,t;. to

The d~bU~ed. de-vc,lopment of,n 'matherr.u!1i\ca) na.oou'l for a, nO!1=isO'thC'mtal eonrinucus sllinred mnk r.eac-tOt 'is p~esented in. this, ,chapteir.. The' 'process mooe:l, comi~1S, ,of lbalmice or£i:inMy difI:erel1t:h;d equatioIt$ :~mppo:tD.ed by aLgebmi(, 'foHn of equations .fe([ the c3Jle.-ul:ation ,pf t,~e of renc1jiO'Q and hent t:rans:fe:r' area ln ordee to predic~: the reaetor dynmll.'ic:s, the process :simuhl!tor is, also developed by :sohrin,g the model eq:UfiJHons,. We can now' des\ign a mw,tivariab,l,e, conb',QUer to control the' s;imu1ated process, 'The: reeetor '~e:mpem.ture and ~jq:uid .height: in fhe :reaeto!t" can. be ceneolled ",-ittb, the :man~po~8!th:u~ of jacket lempem.Nre: and :in~et :feoo, :rate 'fespec1:~vel,yi'

Copy" 'gh ted m a1.eri a

,c! . t '. .. 'vlllWt\i!lld 1'.' . £.. . ,,'i;;'b'l' ,J':. .. . ... ,., .. , -T·i.,·" '. ,,.4' . - '. - . - Uo;ji- - -'. ~- - .. -~, .' . -. Ii - - ._- .

,llfS,. con\:~'J ~', 110 a J.Dml :s.IU'l:a,·,,~e tor precessmg, ,I:!I!!S IS, \!I;on~' m a pr-c,ffttl,hltftb or up:i''''t~am

'-.~ -- c - -. -, -'--c-- - 1!'t_;IIi \v'h"-b ":. "\"', -['V, -h' .. i . "1- ,," . , -I' ·gf'i· 'b "'dr' -, ,Iil","', . .. o,pgii1 en ;"d' -:' , .. ..;I:. I"

'p!UCoeSSUlg ,~~p __ , , 1('; , , l:D_ 0 _ 'C$, C "em ICal., or ell.zym.:n~c u,~~ o~,~ s~s,' prep~,~Q:rl I), t Iq)UI ". ,m,.,,"!..!l!wn~

.. " .' t'··· , . iii' 'i"IiQir~" . ,~II' -AI'·' Ij;.. bltc " ":h'" ,i '. 'J-' it.,. ';:]:' ·t' ""- 'C" ,,', - _·ft- ", ,'" wh i;.. -I~

sepan,;10n o~, t'---,.l(:llhQ',C: an.iIJI! I n!l;d . t ,{'!,l)' e em 1,(:8 is, 51",",n, 128 ~o:n .• ,an operenon m .:~" lC,1lI! ,ai' ~

micJoorg;ara:is;M:S :and the·it'" :propag,ules are ki,I,I,IOO by ex:pos'~re: to heet, radiaiion 0[' c:lltemi:(sis" .oli

. "\f ..:I [Ii-c' '~I'i-¥o+'·· '" ..., ..... ",~ uion .~i ,L.!. " t,·., .,' ..... Ii" . "

rem.o· .eru, IlIJy wI "I"Ii.!!~lonJ~ au pun I,lea. I,OD, aO\!li cmer p,re,pwi,a",or.y 'Ope;l't'MO:rnS.

Th· a.. . - .--: " " . -: '-, ·_·t -'" t:: 1-1"1"· w d "b"i,\r ',' .- . ·It.i Jill' "If ,- ,- " .. '1j"-h" 1..1; t. ,i .... r e p,retreattnent s e,p' IS IOO.e","" one or more, '!/A"t"a'C~,.o,rl; 5;tag'eS, I)" ~ vdlCrfe.mj:UI;

"_',-!)!l-" 'b"-"·'·-,··~,~,-.t-··,- '~'.' . ,t'jj",· ,'.' "f" th '-b~I~, ..... -t"·,·,·· ·t:· '-r ~it."', 11," 'itt.. ,t; '-1'-1 w" '.'

re.(tC",Of;S Dr " ,to~:at, O""S rorm ~~~~e cere or me .IOreat ilon cs!!ep" !IiiI1 1~-ulIS S'i:eP" me ro ,0,,· .',~Ilg,

O,~mtiiorms are [performed,: :producfjem of biomass (,1hr'ough the OQ:!'liIe:__rsJQn of it subs.nt~' to

,- '. - - - bi - - . id -_. - -h- - '-'"cal-' . - -I d·'- - - - --- - -' - .. -, --- -~.' - bi - - --lb:'- - -'"- ("'"

'( '. - . ,. I I. [ "' . I .,' " 'I' . ,. -'." . f ," '.,.' ~ '. - 'I I" ,., I .,'.' . - . ~ ,_. ", .' " . .' I. . . 1 .. '... . " '.' , I' ,

tuom~ Ill .. COJDass an ,wr,n,e b!,oc" enn , '. Inc;.u' .Iug Cnz) mes )~, m,ernoo ,~zel0~,ne(s1S I,~l,

taik,es; pla.ce~ 'wi.th~i~ Hvi'ng QrgOOi'SJllS gen~raU,.. 'in 'presence ,of ,enzym:e lcatalyst to prodill.[C~' severaJ1 ,c:'I\em i;c-a.'l compoilWnds, :i'Qe~ud:ing ~roteins, v~lao'l~ins and, ,an~i'biorrucSi)) and bi,Qtra:m;f~u·mnt~C'n (aJit-en;IbOIl (J,f' 'the stnlctntle ofa campound by a I,i)viilg lorgU[J1srn or e~rnte)" The 'b:ioCJnemi,cam

~";iJ -,.,..,.~ use the e--~~m-:--'e: ,,"'iit;j"~Iti~"': ... f -rn--'·L'"",r-Jfi;~~n~1 ""(n-41 Jil;~"h·;t;:r-- :""c-'II:'" ·1-'''-' earrv ,tj;-u"~' 'f~e-_ ....._iliil~~i·I:·,..._,_,J

~ llir.iLiI !LIIY!"I".:Ji . ~ l~I'Ir. iI.~""'.;. ._. 1.3\,J a.1~,~~~J~,a ~,l '0 ..... ' u U.~WlI~ ~. ~ u,~_,,,,,, ~ ... _.:l! ;'U ~ .• J U. ~l ~_:Il~ _ II ~~~ 1,1i;U.

bioS'y~the-s"i:s~ bhxiegradllUC$il or blotraasfermation. .A etual l.y~, b]odegradat:ioi], refers tiO' the breakdo<\V'fIru of organic materlals i n~o sim pler cO\mrpo:ne;nts by mlcroorganlsms.

Pim~Uy~ the ffiiil!ted~l produeed in bi,owcactQ:rs n-ruu~: be processed f~er In the d~}wnstRam.

Sf'(.t!:o.n of the PIi"OOCS'S to co~vc-n it '~:Q a ~sefu~ form, Down.ur~U'PI' pr(}(.~~'stng' censlsts of

d! ., I h ., I ., . b·' h ., ~.~ ," f1" ,- -,

pre ~,_ oounant y p,ys~ea. :sepamUQn operanons 'W'~[C~.,· are ,a!jITh;;~Y at 'p~L teanen and ICQOcentratl{'!~1

~ - ' . - '_' ~'

'-'f-:'-' 'r~- " -..-..,J,lc-;;l ,S' ,--' -. 1"-"'-" '- - . .- ---I'~ , -- -d: ,"','," '~'.'.-."" ' " . '. ',' ;I",d:'-J~""I ",d'- "'.: ,t,'-., ,(,el'" .iIi'··.·;

o JI!~e prvruil!l[,_., 1.,,('Ii,me cemmon ,j. usea op~nhJ.Qn~ are 5'O,_!c, i~,!Q]Ul-, ,SepanhJQn,I:I~ .. mdQAiI"

- - ~ =

centri'fi'ug,athwl1:~ sedimentetiea, floatation, ete.), ceU-disru"pl:h:m (31 tech~~q,ue' to iSQlale 'Ibe

- iIk __ 'I· A - IT .iL_ '1··.Ji ( II I ~l ")"} ., '" ~ . 1'1'" . " d "

.eta!UU, I(~ proacet -iOM IIiLUe so' :I~S : usua"~ y oe_,~s:·:~ .. , pfeC~j,p:it~UQn" CLrySm..Jz;auCin" ,a;'soIpho:n.

'I'· ·'A iii'· "d ~ .,1'. '"']'1 ~ • drvi 'T1.. ~.l.'! _,.j _...A '~

,.,I,q,iiIlliU-~lq U~ '. extraetton, oiSU. :18UGn, e,vaporati{J~! ~.ry~ng" etc. .!, ~le~ p'U~lJ'~OO p~ vYUC~, m~;y nave to

be ~n l~lifr~rerJit ph,ys[cal forms (Uq,Mid, s~urry, powder, eQ'staU.i'ne~, emlubd,ons~ e~.c:.) ,ud addJ~iorml sire,ps, far product stebi I-i mt~o," and foooulath:m 'may be needed.

B· ':~-SA'd;'1 .... n ~'h' ·.,.QiIi..·~,V,i'li~ -"~i;i~('_,~,~c·~;'I~i'i" ;,jo ~~ t"ln. 1-1t"i; lfjoLlli\. thet ~~.:i! chemical :a:""O']"ijji;iie-:r-'" 'n]~'Ij ,"'I '~~~~"",Il ~'I"-'" [ . iR ~ .. Vi ~_ I v. Al}U _ ~ w.~~1ir. Yl_~.iZI u~111 ~I' ~ilI 'I "'i~ Y~.f. l .iP!L 1~ll~'\r. "11"1, I '_ "iI1_, ~~I~~_~~'" __ ,r~ r'-~-.I ~ V"~~"g_ ~,~,_ ~

In 811m ~ree steps, of bloprocesslng, 'De,pend~ng, on trhe 'ly'p~ of pft1dud,., the ,c:oriJ::'oe,nt[,ation 'I eve:ls

h 'is ,~~~'C~..1 and tfue '~'[i- ·.~:"l d the ' .. '.:- (1:- : -,", _(~i',__ I~:-. -' ,-",."".) .. - ~·"':'h:-" ',.--.'- --"'~,-'l--\'" :"'-fij-::--''k.' --,

'.'C' ~~' p~U'\.I gJ, ' __ .. '-·C_.'~ ,I' :.,.,Jy ues.rCL~ _Le, "(;o:n~, rstep,.ul.oreac,non, . mig, ~, l~xmSIUU1~ anywu.ere

between S-SQt'o ,of ih~. 'tala] fixed ,Md, "peratlQlg ICosts Qlf th~: :p~~$s+ Then~for.e~ o,pti:rnal de-Slgti ,and opemdon of bioreac.to:r freq,uently dO!minates ~ffile 'overaU technolO',gical and ~Qnj)mJe, 'perfomnm;ce: 'of me' proc:ess"

'!i'

5_3 IIQC:HEM.CAL REA',ClOR,

Copy" 'gh ted m a1.eri a

.Tii!..f!; dli,SCOY'ef,"eS, 0:[' :LJO'I'11C '~Mr,eUr' ,SOOn, Jed ~'O t h, e deve]o-;(- -,e:n~' 'firll' b:io .-I:-e::tn _ ,t",' th :,

-I-~!L ,_ _ _, _ ~ _~ _ ""1."'" 1- _ _ _ _ ~ __ I,! _ 1!Ii_ _ _ ~ _ _, _ pm __ I~ ,_ ~ L rea __ rn JJ)rl,~,e

:Iarge--sc-.al,e ,au/lure (a, growth. of' tivlng cells, 0[' 'mlcrocnganwS1l1s, in ,11 prepared, medium) of bacteria and yeasts; (:m:ic'rcrs:copic' :fungi whose metaboUc processes are responsible fur

feI'1l1enutiio:n- and 'd1ei:! are Bed 'for le3illii!n,ing.··' Ibroad, 4'li11l';1 1"'1:'.1: ~" .. ~ 'm···all":~'f'i;ti!: .:"i;'f- cheese b,-, '--'-1.4

~' ,,_ _ .-' __ ~ __ ~ !I!!. lUi .I~_ IY,I ... n ,o,_IIi!lt.JI,'=, v" ,"". e ... c,!, e'er 81l1;;l

'wrune:):" SmaU eultures orj,rrimJal,~ ..... ' were t¥-t:o,"',~,eAI ~;I'ji' d:-l";i!'~ld'~, t-'h-~.: "'\Ii"i~'I'iid, not ["'_~"''!ii~'- o'j,i"r.,....c,~, hle

- '.' - - - - - - - - - "" - - ~C"-- - - -.I - .... ,~ . t." ... ,I_~'., ~I!I! Ui lUI~, ;J~!I! .... ,;!> - ,w, II."'UU,[, ,.l ... r"",ad! i!l!,!:"j:h'-II,oIi;J III _ ~e

qllutUiies of 'fermelnitatioll 'n~od"- -.-.flt' .( -, -.,.iIi., ,- - . '-''-. - -- t.'k '-'I ]- - . '-11 -.'1- .' +-)- 'T-!.. ",' . "d" , +~ iIl., ... ..:I

_ 1_ - --' - I-I _, > 1,'._, ,_! _-~_I 0_': ~ 1 ~~,_ t'J.I- U"'!!,0;!1 '.:su .... !!1~ as, ace, [o:ne,~ e1U11Y, 8, CO', ,,0 'j' e,~c '" , ucse _Plro .UCI~' ~!I,""

value ifth '-' ":'d' ' ....... - '- "d' "d ~ 'I, '-, '\O!"I--'- -- '1'- '-·-·'h}-·--'- this -,- ~ th - ..:I. - . '1' ,. u of

____ ,_~ ~~ ,~~ey COlh~' Ut;O: pro.u,ce . ru~ :arge _Oil!~mes:", O,IlC; ,le'Vc _'.1-5 goU!!~ __ ,_,e uev:e:,_,opm~tU 0,

bionacto,rs, 'was reqillllired, (begi:nn~ng ~o; '~he ead,Y' 19005.) t~at: ,cio'll]d cul,tnfc(:~ at Ileas~: a '~{:w ~~~res of eells and, media, 'E'ventU!aJI.y~ the biereaetors would be abie '~:O .rem,ent: thaasands of .li,twes ,al: a time,

T L.:!!, bioehern :'I-"'"'a~1 reaeters ,ol'Ii'lNl, *liiIM'P"]- oved 't:n nreduee ,Ill; larue ft!I!'m~n'r' ,n:~' ~~'t""rm' , e--d "1- ate lIi!nd, I

. ,lll~ . l. '. '~l • ~ • ~ "-!ii. _~ l. ~AJ!iif.' .. ll!iJ' ~ ~ ..... u ... , _.[ I ~. ~r _' .'~ t"l v.. _ ~~l '!iii, '~I='!I.I [111,~, IlJl .... , , u~ 1lJ~1;l1'-1I.."", [. ' _ ..... ~ G. " .

'fiDC;~ p:r"'d-I~i~,,,,,,t:s- "I '1ilIc:1'U' ~rl~"f'iiO' m,'.,;;d' '~I,Ii",~l..", .. '1 p4:' .... du ... ~~, '(A_g-. - 'iSln~·~lb-;"I-""1·j'i""'_ 'v","'iI"'"I-ri.;-i;j:ij4 ;fi~t-: .. ; '\ Kmo·c d an dl

~ J .~-~ J"~ _.I~¥ .. ~ ._ ... y. L~_I= ll& ~ . ,iI!i.I ·!UG, I ~v ,_",'li~ ._~'p.. _!I' "llhl[II~! " U k~,lI.P.at ~ ~""w. ,ILI,,.~ ~l ,.. ..... It. ,w~· . I u,;, .

bevereges, ad industrial ,solv,enfs,. L~k!e chem ica.1 reactors, the b~ochem:ica~ reactors also can be' ciassi,fled based on the feed~rn1,c ,a,prp:r,ooch intn E~r,ee; dUroe-re~t ,eale_g,ories: cO:i1~:i:niUO'uS:t bill'~ch and s.emi:-,bltc;h or semi -eontinueus 0;1' fed- hatch. In the '€ilikrwii1_g text, 1'hey ~re~ ~mstOMed bri:c-fny,.

~n the centlnuous mode of operatlon, the feed i's {:O'n~bwuQu8ly added i'nto the sy~t-CfltJl, and. 'tile; efi1:iJe:nl: mem is removed simullmJ;eou:5!I,Y' from ~'hei SY5tf:~1. The CG:tJt~iI.uO·I!lS processes 'Qtle~r ,adi'lmllages; such ,as, lfi~er prOOl!1ttivity. and Ieee, of o,pcr,ati,>o~, ;fjijd ,000001," Bll!" the, ~aye oe:I1:a~n d:i,s:a,d't''3im1tages, seeh as eq]U'i.p:mcn~ faU~r,e'~~, ~~'€eeMo,n 'by' ,olth,ef' m~croo,rga.njsms! and rno'w OO1],YeBi,on :pc.r 1]jn~t: 'feoo1o:t' \to~um,e'", M:oreo-v,e:r!, ~~,e' Co.nlt:iIillUO'llS flow f'emlcIt1:er has the dm,wback that 1he cells Me' washed a,way :i~ the DuUel: oonlltn~o'mly"

:10 a batch mode, all the 'mftieria~s Me 3jdd:ed ,ali lhe, 'begimrl.l:ng ofthe 'oott:h and ~he eontents aee sealed, The batch products are whhdrnllv", after the :reacUon time ls ever; The ba!llC:hJ (,and sem1-bat'ch) b~orea-c~ots, Mve '~~ei advantage: of avo~d:in.g cxce-ss~ve ;sumn.te feed which can i:nhlbil tJnicfiOOirgani's:nlJ ,grow~!l:. Si'nce~ ~he: p~'OOtiC;t js, also 'rec~ve;reil, at: ~ihe' end of the h.1tch opetaUQQ" steril lzed c'{Jndi~:iQm~, 'Can be 'mai fl1'ajrl~dI du:r,in,g process o,pemthJ:n. HaW'e~'eilf;~ the ~peTa!ting costs, of ba~:Qh operatiens aFC 11 i'gJht. and hence II~Jjrge--;$oCa]e fmoduc,ti:(iln, is n.o~,

...... o·o""'m- "1.,.",1 ~~.!.~ _I_::P _' _'_-_ ~g._!

,As ,already 'menti,oned iA the: generall descri.,pt'ion of the reactor IUust beft)[le: Chap1:er 3)!, the: sem~-battch or semi-continuous o,pemti.ol1l '~s hltermediate to' batch opemti"on and eeatluaous .... Nlil:'"s.l'·on - ''II'Kd-, he .""io"JJi, 't~.il' iI'!i:'(I~oI!i'. T· --~~, ,(!~~'~I~",'''',:,f; .... ~ reactors ,'!I're 'wide,Iv used In bioc:bem:ical

v.,,,...'!Wt~!IrII' ., ~dl 1;li J.I!~"'" litl1w 111~~'~fw Ii .. ~l~t~ ~I!r.-l"'~" ~!I-~ ~ ~ L~ ~ _ ;'!Y.I;!!! of! ~- - -J __

1I""I'n-~-1t' !'!IIi'I.;oii ~.~ ~N' ''!I;~ po p"',I-'i!IIiI'iil\i" '4 n if!i.'li1l11ji1l as fed .. bateh reaeters 'I"l: o-~e:- ts '!;1 'iJ'1:"'ofI, ci"!Iintro:1 over the

~J;"~'I";.yU~ltI~,, ~~tjJ, I~~~,l' ~'~-, ~_ - __ ~- !I;U~t).· .ru,IJ\J.!"·~11j ~ ,1.,'-' J ~~ j 1~'!tii\UII~1 I I. 1,1;' .111.1- g ef~ - ~.~~ __ - - - ~

reacdo-n speed. (progr,e-ss) rutti :m~c:ro(JlpIlism, growth, as 'the ~l~pply of ene @f ~lli1 e reactants 'IS, ~Iil!i'ild""," ,-:Itpe. _ .... I~~:'"'-~I_ H o -l:y;~Vi!!-'i" '~t-' is u~l1!IDa'llj.-l' diifficu'lt te a'na'i:Y,Z'e,the dam of the semi-batch reactor

~u _""'I:S"" I, T ~Oi!'~'Io!'n_ J'l,y .. """ . .,.f,., ,I _001 ;;;! _ _~, _ _ . _ _ _, '. . . .

.1 ...'

operado:ns oompa'l"ed. to 'lire 'bat,(~b and '~OllijrnlOljS systems. FIilDt'hertnorej, lIbcre me dj,fficulri,es -ill.

ope-ration ,and] tontr,ol s~[I~e the: semi~batch prooesses~ Ute, 'b!3~:ch 'p,roc.(!sses.; are: i ~;hm'e"'t:ly

d- '"

yna;mlC!,

'~'t'II; '~it..,;'~, ,,.,])- q'p-~~r'. ,,.,L,i;I! 'm; .. t~h""'rn- i, ... t"I"","-;tl;11 ~,f"'..J.tI11 ~,f', ,r.;, ...,nn+'l·~I~'~1'r·'~~: s.ti:---~I 'j;'""I1~ ~~:~h""mi,-"o'l, ~"'",,!.iI~'T

,~!F.ll '~I~"":.:!! !Ir.<,~. ,,~~~_,~, ~It~ ~'_LD,;.· ._~~. ~. 'Iir.~1J ~lIJ~UU~J ;u .. a!\pu JL~I:lJUUYai '~_I.I~-:u. 'IAI. z ~ U~l~~' ~., __ '\r~ .. "'~_~I'~~

('ilI:-I~n iN!!~~rr~d.· ,'- ,oil; 'r;; "'_""'-n-~]·~-U-Ji1oii~: '~\iIII~dn'·iii:'i!). cw~l] 'b.:'i .diilJvo,l,i"i:p··c·d- ·D~·""I'~AI d-,~!nJam~cs of 'dl~

,H ~ lI~J'~,"",~~., ~ l~ ~ g. ~u., ~ ~ .•. _;u~ .1t.,IJllJ~!II;;" !L!WI. ,. __ ~ .. 1W .. ~ _ ~ II.!II' ....• 1 I _.~W.,~f~"'"U _~ ~__ _ _ . = _

~:ph;: biLoreadO'r' wi~1 :al.so be d.iS,cussea i:n. the 'pRSGf;l!t s"dy~

Copyr'ghted materia

·S·~II COMIlII.UOllS mIRED IANI II,DIEAC10'R I(enl, II: 41 IP'" - .. r\A;tiI;···lpt- '1'-"-

,.;It • r rocess ~ _on

'1' ,. ~ ~'i. b· h ~ ........ 1 . L.., d c .... d ~ ... 1" ,. hi h '1 1:..'. II • """~

liD, a S;lmp'ie ·w,ayj,!;ue·j~ ._e:nU~. ~{()T' esn ~: e.iuie._. as, aUiHIK, in, w., ue " s:eve:m, (lr]{hGg.lCW

'Radiions loc(;ur sbtil[lltan-eous]y m, a liqui~, 'medium. In file bioreado~~ the fe.rmell1atiiiotl fUJJcess is commonly- performed with, the substrate" in 'presence of IOltbe4' l:lutrienm in, '1h:e" med~~, by 'the aetion of ru~cro(t:rganis~ under' optimum bio,logi(a] 'colfldtl~OiruS. "The fennentBtlon$ ~,ve rise '~n a 'variety ,Qf prOOud~ (Rno'I' 2005)~ such as: :primary ,me~boUtes [e.g., ~doQbO!], c~tri~ aeid, et,t.)~ biomass t'e'~g.t, baker"s y~t, :~dngJe' ~~n pfOt~iln (SCP')-~ e~~), tr~IOf:mfi.ed :subsuat:es (e.g, ,stemids.)~ Md. 'P~dr.~d, so l'vents, as in the: case 10f' water '1rea!lnitent,

['11, ,9" slmple b1ocbG;mi.~cal Rector' case ,study;, we, have eonsidesed two 'CtlmpoDOBts, biomass and substrate .. The substrate is, the .Feed SOU1i"Ce 'f'Or the celts, Consider the 'scbemat~c of a bioehemical re&;;wr 'in Fj,gur.'c S.l~ w'b.eirC x is'~ biomass concentration (-' I1l~, ,of,te'lIs1volmn'c) and, S' ~@' SUb5tra.~' co~ce.rtb"ado:n (.;.;, ntaSS of substnttdvoblnl~:)-., F' represents lthe vo1wnetric flow tate of the feed stream, V the vulum.c' of the, bioreactort. and ;xI' ~d Sf'tlle biomass and ,substrate

"" ........ iH_~~t'l· CioillliC, '~~. _.' .~n, e .. ~'II.i" ~;n', ,~i,;I'e: '&,. ;-d" II!!~I' ';'~ft"Io . I

!WV,II~~AiY,Ai-1 V.lll.o.Jl 11'~y"'''III''~I!"," 11J!" ~_ J UlL J}~ ilJ!al~ll ....

In the samp~e rbiorea-ctDl'~, the feed 1-s supplied, ,oontin,u.owdy: 'flO keep tbe ceUs in ~uspens'(il\ gentle ~thrl:ll,g, is, w.rnowed ~n the reactor: The: agitator speed. is, c-hosen m IJfo,Vide rSuffici,ent mixing whije avo,iding, c~'cesslve shear f~ that m-B1 damage the oems (Lee" 1'99.2)\0 ,A streant, ls :rem.-oved. ,oo.ntinuo:usiy.- from. the, bioRaCtQr~ The effllJe1il1, sUeam cO'nm~ns, unrea.ctedJ substrate' and biomass, The growth of microbial eel~s in a s,uitabl,e 'm,edium, r-esuU.s in the oonsumption of ,I~~-t .'d! the '~rm'I"I.'.~ n .' f" ~..i, ...... 011<_ 1)'. ,~;" ... ,;01 ... ~ ...... ..1i --~4IU~.r;: :aJi:~ ,th~,:--n--;, "'l..-:~~l¥·· \0;

$U1!lR>!!l!Ig.'C: an ~ 'CL _~_o __ Q~ P!I!UUu"",,,,",,. nere~ IUI¥ !l;K:S4~ P~l!UU~....,~ __ ,e _Ole CC_~S UJetDse . es~

,F'

.......... ~~ .lIi,.._ __ ......... :_, ~'

S

FKU[JRE :S~3 Sdle~ ~n G1' t.e, e:~p4e' CS1B.

~ 1"" .. '

x' o;!!

-- -.,_,_ . .__,. . .__,

TL'· ~I '. h 1Il.._ . .1 m, h·' bei ~: .. , '.~...... ".-Ji ,.

, ms 5ys,,~m I_S C rosen eecause, uGsp~te t ,~'S process - e~ng,u~e Sjmp~t one, ~~ Uiynanne

beMv'ioUJ' is eornelex ;(A' ara'wa;1 ~'.~ L,i'~ , ... ~.A nam·I!,'r'·liI!''r'n~ ]- t\;0"'Ii ")., 'M"1' ';if> ......... ver i:I'.iiili-!'t:ill'.;i:l "[:-rn--n,n~"-~'

.. ~ - _'._'~'_. I_ -':__'---,!r-"----- .. ~c'g. __ .~.i~ ~::~'~, _ .• I~!lI~~~, mw. If'ilc ~_ d:I~. _~, I 7IO-'i'.:._'!!1 .. : U~,'!II.'U" \_,~ ~'1!''I!!-~~_' ..:_._=~---~!I.iJI4"!I!!1

i.Ml!.ISlrlaJ ,tooesses be'I,~,· tr ~i1-.·',: ";,; .. ,(:~~,," "::···ii!··_·:.·.-.-t· r, ··,··, t-.·_.4:-:',-.-'·' '---;'--::-:--:-;-'~")'

_ . . _ p~ ~(LgO l!;;IdS (i~ass.e.g. W3S"ewa er .rea:llneJ'h, process\.

Tf:u:~ biof-eac,tor 'mooel ~-:i11 be, COri£b"i1!id:ed. in d1~ foll ow in 0' Wa/,V based IGfii the c ~nsen.rar-n

--- - - ------- .. ---- --- ---- =--- -c, "11-- . \I .. 0'\, ... 10

, • 'i ~ ii,.' 'h ~ 1 .,. k· .

,pnncljl,lfli UrU .aIOC: e:m~ca, react~on _ :UlttIC~"

,5A~2 MlathemaUcal MOdel ,Assumptions

'The fOUowln,!IJ .. · .". assu:m~, tions ha1\!"e been made to d - - - i - ~h- tL.· t~ I ..... ,;1 'I s: th

~ it"" ... ' ; "j, ' .. ~'~Iie-ve.op I~,e 'rna ~iLemalcal :muiue'" :to:F' u e'

bt'Ottact:or.,

Copyr'ghted materia

'Table ,8.2 I~~id molar volumes to.:" the Wilson model (:contd.)

tV ('ccb:limo1\ ~ ,', b""""-' I'

'~'d .. 1 'I h

,';'~iY., eye ,0 ,.exaJl,C;

213,,1.5 3.21.l5 373,.],5

2:11,,1.;:5 3:23..1,5' ,371,15

2'11.1.;S 343,15 413J.5

29:3.,'~,S lSi3,.1.;S 41.3.l~

21,3.1..S 323,,] S

371.1,5

2.7,),.15 323,.1.5:

J7;J,.lS:

2,7,3,.15; 303,. 1 !5: 333; IS;

273<,IS: 37.];,1:5; 4-7],JS;

2.,,., '11:.' .... .t.;;)]!!. ',Ji

S1.14'~ ,603:56,

64,J,7W

'~H.3,

'~o.;t 1.

n O,~,

l'::W,,,,02, 129'",0:9' 14(t29

14.:2A:I lS;2,l

163.9

143.04,' 15:2.,30'3 163 ,'()'] 9

M'etb" 'y'l ey' 'c'lo:r;e" '[['tane' " "

. . :-,. - I ,._. . ..

, ,",'" 'c'.' ' .. 1 ,', , .. -, .. ,'

::n,3; . .l' :373J3 473~t5

:30j,JS 33~l~8$ ,3;72,.6-3

2,13.]5

"'1i!'rI;~, 'l'~ .J'I;.!I"I.J,.,,;.Ji

3'7" iI,~

, 1:·[~Ir.IIJ

'~'21.3!cn '136.388, 1.48,21 ~

1.21.62 12fL80 ,]32.4:S

'~22,20 'tU:,O J.S4J

39.SS6 44,,874

S1'.,,9:J9

77,,'22.1 90,1'1 ~

:121..443

lZ~lU6 'Wj,3,,83J

'~40,609

'109.671 11,3'.:810 '~26.2

Hex,'i:ilenll!!!: ",;- 'CO~ - - - -;/ - - -- - ~y - - -

'M'....i<t. 1 ,,:,'!i;IiI!I,anU

Copy" "gh ted m ater] a

Tlilble S.2 lIq,tiid (illlilder- voh,ill11iltffi 'fur the '\AliISOf1!I 'modeIl] (oontrl)

27.3.1.S' 333.1S' 313,.15'

2.73.1;5: ,333.1' 393..'1 :5

'2:73.1,:5 ,333..15 ,3'73.15 19J.I:S .34J,JS J.9J.,t5

87,3 94.5 100.0

IS8.91J\0 'i 70 ,,6-JiO

'18'..182:

'] 1 't .8,

'it 22" flil

lJ·" .. "~;~

Ii "!i' 'il ;AI ~,~,IJ.~

14,,78:5' 78.,9ti2 8~tSlt1;

"""~---'-I 'V",lr .. ~lWO,

1 - "Ii' ~,~Ti~:"';h'lo: re 'pro: p""in-"

,[!lL.I!.J.I- J,illlf.... .. ". 1 ., , ·IiIL l'!-.

2~l3.1:5 ]5,3,1:5

4,rU,.lS

211.15 3l3,.1,S Si:},_] 5

2.77.13, 323,.1.5,

37~llS:

11,.0 ,80,,5 :86!,'~

167 "A,:~:5; '~'IJ.:n7 l:20JI,79

106,.,22, ~l.2,.6 124".1

lin .'16, l1L2\4, 1&3.66,

18,.060 18,.'27'8 18,.8'44,

2j98,.,~:S 3-.33., ~:5 3:iJ,,~,:5

3o.1.~,:5

';l~? ~II[ ~'..;!IJ'r ~ . .J

Water

'N'nte: Using the ,gi,ven ldata in, the tab~e,., it is easlly possible to ,oom~ide ~e, ~i,q,uld Itu:d'at 'volume of any OOlllj](DD,e.l1!t i'~, Vj~ wi,m, 'the '~emperatwm by ,3, seeend-erdee po~yno:mi'a'i as Vi;:;;; a~ ,.., b/l' + c/l""',;, nu;:' tno]ar 'vo,1ume" at any ~,pemwre eeuld then bc~ caltlU'latcd.

'R": -- --"'--'r-d· ,,/tb ,-nn_ic--j--:n ~--m ,(','H,';1.i'i1m es M.J" ---d Van '~Nlniklc_, M,. ('1.'070). 'PredJi'ctioll of t,e'mlli~'

"ciPnnu~ L_ pe_'_'_S!dJ:~ __ m, _ ,_'I;,!I .::_ t ~ aIL - __ - ~ ~ 7 - ','_ _ _ _ _ _ _ _ _ _ ~,I

V"PQr-Hq;~id, eq.u~nbria from 'binary d~ J,,_dLllt:riQ( & Engi,'ru:el',i~' Che;'n'llistry, 62,., ~2. ru,-3, 1.') ,Amm,c!ft :Cbemh:al Soclety.,

,8i2i,,4, The 'NA'11. Mode'l (nomrandom two-liq uid m,ode~ developed by' Renon arid

Prallsnltz lin '1968)

'The NRll. equation represents an accepted extensieu ,OFf 'WiJ~son'~s, eoncept and. was devt!ilo~d on tae basis of a two-liquid 'tihem:y., 'The' expression for ,lmWiaf.' excess Gibbs flee enetgy is as ro:Uow.s~

Copyr"ghted materia

Chemical Process Modelling an

C . · I

.·omputer onnu anon

AMrYA K~ JANA

'Th]5: t8~~: ,pr&S@nlts tIne flllm~:~~Uef11tia~, IC!!lInc@pll:s of 'how miifIlBem8~jlCa'l imodle:I'Si, IO'~: i!l:lheliftih:::a!, ~mce~Sles' ,af~! IC!Dn8mJ;1UC~Bi~ lind dle:rnolills'traltes thl8~r a~\P~~&a~hnl tOI ~he Shl1'~1\8~i~11I orf' '~'~O 0'1 the 'ver~' impor~all1t Iclhemlcalll eng~'n 8lm;ililg ,sJ,stelilils;~ 'rnne e'hiellin'i'~ill f,eIBe:llo:rs iElJi)d d is:iUl il,tiil!lllil Ifstem s.

'T1I:I8,IDOOlk Iprolilid1els In ~'nb~g~f:l1!~d ~r,ea~rm@im[t ID~: p ~IiiCJ!!~S, d'e(Scru'p'lion~, 11(;[;ai[bil!rnil1T~ai! nflodl8lj]jfi1g :a fi'id d,nilunii~: sinru~a~~'Q]I III'f f18'a6sti~ plr,oblems, nu~i'ng' thle mb I!.ISit IPciJOceS8 fiTI:c,doi ap',pro 8 ~:h l'iI'nd its ~hlfitl!llaU~)fiil wu:thl 6'f€i[cfl8lrdt IliUlllllSlmical ~)ec:hn_iqlJeS\, 1'1IiIeo[t,'lical b 8i~kgm:U.l11l1~ In]:l!Iiteriiiijll:s' ilJil a ct'Uw.ll'tY' ICll]ieni~Jm'nt: mod\El!I:s~ le.quiBlthm 'Dt: state rnlldels~ ,rlB'acUalill ~ll~nEdh::s~ ilnd IlilUm~r'ical solutiDllI1 techrnr.~ueS1-I1I_eerllBld '~or the: Ide"'elopment 11il~ Imath_emaU\cam :HUll deISI-arE~ ;81150 ta_ddf~8sed lEn the! Iboo k,

'The! ~opi~~ (j!~: di$cussIon rehn~d 'mn lanks~ heat I~~l~~hal!!gl~~$", ~her!r1ll'lO;am rea~rna~.S! I~b~,lhl contiftlll!1ou:s and ~a~)Iill~I~, ~l~chermlc;al~ rE)a~~Q r,s\r i~~nill~~ui~l]:lfi coll~mrns '~b(lltlTh corn:tinumJs C3'liid ~a~:eh~~ iIl!qlnli~lbrium nasilil v[81pori\llel~" ,and refine" delbU'lanu'z:e;r c{l1'~ mn~ CiQ,!ll~,~itn sever'la:~ worked"!:!lut l!J~amples and Ic'aSIE! S~lJ'dee~, 10 'Leach stu denU' hill'li\r chem]t;al plin.ceS~I8!!ii, C~UiI' be: mee~u[1ed !andl IJIIiIc:nUmr,ed [n~J'ng (;)0 mpUllef' pmgramntill1lg~

'f~i~: book: is dllm",~ijgfned ~~Ir :senr~~':lle~~JII underg~adlJla~18! u~d firs1:,·ve181i ~o3~gJadualle level ~Dlu,se\S [n ~'ChOO1ical Pmooss, M.od'emlllgi ,an,d -Slimulationij',. Tine bro!ok' ~\lin ra1~o Ibe use,ful hn :stud'rell1ltrs oif ~,~tro~hemj'ci811~lJgil1lle,e;jjnfJlgi 'bio<techrti1i'IDg1y" aJnd bhl,~hemjcalll e:ngineerin,g., !Itt cain se,nH\~ ,as ,9 gulrd!e folt' ~eS!e,arthi rscientis:ts ~mQI IPfatti~i'ng enl~r:neefS as 'wen.

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AMII,V'A H~ JANIA m~e~~€d Ihis: BIE degim8ie in ~ne~rU'c'ajll en~inleerill1gl ~1iI ~199a: fram ,J'ad~~p.u,!r' IUnil~~r;sitY'i' M,.Techl. nn chmiual iUQ!IlIii:lfI!!!erirngl hNii~h 5~elr.l:i~J7R~iolJ ~'11I P,emlrr,oleum leflinRng -Enghll1E1illrlng and Pe~lIi'i~u:hem~~iid!l~i inn 2'00i[1 'hom miT I(jhilragpW~:i ian~1 Ph"I]J. in 1~'heml'c~~11 i9ingifiL~.~f!:rng (~~le~:~f!j~~~~[CIIiI:: C~'IiI~nl Sv![ems) inl 2J~1[J4, tn!!m I ~T Kh~n'a~plu.

lPfJe.sel~ivi' D~" J~~!1I i~ A~$:rrs't~m'l 'rl~fl~sor at ~ iT K~!lu1a)gplJ!JII" ,H~'~ ~reas ~~' n~S!8J~f~h [[lFlclude :nori~i:n~af I~on,b'ot, ~~;artel e8rn;rfDU'it~Drn!, !alr:1Jd mod!emili g :and liiftlllllla1jilJllii.