TECHNOLOGICAL INSTITUTE OF THE PHILIPPINES

363 P. Casal St., Quiapo, Manila

CHEP 53!"
COMPUTE# APPLICATIONS
IN
CHEMICAL ENGINEE#ING
C$ispulo G. Ma$anan
Inst$u%to$$
Lim, Justine Kei T. Final Project
Michaelis-Menten Equation March 8, 201
18
Project in Computer Applications in Chemical Engineering
Michaelis-Menten Equation
1. Objective(s)
To sol&' a %(')i%al 'n*in''$in* p$o+l') usin* an ai, t(at appli's t(' p$in%ipl's an, %on%'pts o-
+io%(')i%al 'n*in''$in*.
!. "nten#e# $earning Outcomes ("$Os)
T(' stu,'nts s(all +' a+l' to.
/." To 0al1 2ou t($ou*( (o0 to %on,u%t a nonlin'a$ -it in MATLA3
/." %o)pa$' t(' $'sults +'t0''n a nonlin'a$ -it an, lin'a$ -it -o$ a *i&'n ,ata s't.
/./ Fit Mi%(a'lis M'nt'n '4uation in Matla+.
%. &iscussion
A $'a%ts 0it( E, an, tu$ns into 3, 0it( $at' %onstant 1
"
, 0(i%( tu$ns into C an, $'*'n'$at's E, 0it( $at'
%onstant 1
/
. No0, 3 %an tu$n +a%1 into A an, E, 0it( $at' %onstant 1
5"
. T(' Mi%(a'lis5M'nt'n )'%(anis) -o$
'n62)i% %atal2sis -ollo0s t(is pat(.
Anal2ti%al solutions to t(' '4uations -o$ t('s' $'a%tions a$' not a&aila+l', +ut nu)'$i%al solutions )a2
$'a,il2 +' -oun,. T(' )'%(anis) )a2 +' anal2s', usin* t(' Steady State Approximation to *i&' t('
-ollo0in* '7p$'ssion -o$ t(' $at'.
T(is '7p$'ssion is t(' Briggs-Haldane anal2sis o- t(' $'a%tion. T(' Mi%(a'lis5M'nt'n anal2sis in%o$po$at's
t(' a,,itional assu)ption t(at 1
/
is )u%( l'ss t(an 1
5"
, so t(' Pre-Equilibrium Approximation %an +' us',
inst'a, o- t(' Steady State Approximation. T(is l'a,s to a &'$2 si)ila$ $'sult, +ut 8
M
(as t(' si)pl'$ -o$) 1
5
"
91
"
. Fo$ a -ull a%%ount, s'' :En62)' St$u%tu$' an, M'%(anis):, A. #. F'$s(t, ";<<, pp;<5"".
T(' $at' '4uation %an +' int'*$at', in t0o 0a2s.
Approximation I. #'5int$o,u%in* t(' assu)ption t(at =E> is s)all, s't =A> ? =A>

5 =C>. T(' Briggs-Haldane

'4uation %an no0 +' int'*$at',.
Lim, Justine Kei T. Final Project
Michaelis-Menten Equation March 8, 201
18!
T(is 0o$1s 0'll '7%'pt at t(' +'*innin* o- t(' $'a%tion, 0('n =C> an, =3> a$' %o)pa$a+l' in si6'. Fo$ t(is
$'*ion, it is +'tt'$ to us' an alt'$nati&' app$o7i)ation.
Approximation II. #'tu$nin* to t(' unsi)pli-i', $at' '4uations, su+stitut' =E> ? =E>

5 =3> an, =A> ? =A>

. T(is
0ill +' a *oo, app$o7i)ation 0('n t(' a)ount o- p$o,u%t C is s)all. T(' '4uations %an no0 +' int'*$at',.
'. (esources
Matla+
). Proce#ure
T(' (2,$ol2sis o- %a$+o+'n6o62*l2%2l5L5t$2ptop(an %atal26', +2 pan%$'ati% %a$+o72p'pti,as' o%%u$s a%5
%o$,in* to t(' $'a%tion.
%a$+o+'n6o62*l2%2l5L5t$2ptop(an @ H/O A %a$+o+'n6o72*l2%in' @ L5t$2ptop(an
T(' -ollo0in* ,ata on t(' $at' o- -o$)ation o- L5t$2ptop(an at /5BC an, pH C.5 0as o+tain',.
Su+st$at' Con%'nt$ation D)ME #at' D)M s5"E
/.5 ./F
5. .36
". .53
"5. .6
/. .6F
/.5 ./F
". Plot t(' initial $at' as a -un%tion o- su+st$at' %on%'nt$ation.
/. Fit a nonlin'a$ %u$&' to t(is ,ata o- t(' -o$)
usin* t(' nlin-it -un%tion in MATLA3.
3. Plot 2ou$ Bt an, t(' ,ata points on t(' sa)' *$ap(.
F. !'t'$)in' t(' ;5G %on-i,'n%' int'$&als -o$ H" an, H/, an, -in, t(' $/ &alu' -o$ t(' -it.
5. Ma1' a $'si,ual plot to ass'ss t(' Bt -$o) pa$t +
6. No0 lin'a$i6' t(' )o,'l usin* t(' Lin'0'a&'$53u$1 )'t(o, an, sol&' -o$ I)a7 an, 8M.
C. Fin, t(' ;5G %on-i,'n%' int'$&als -o$ t(' slop' an, int'$%'pt o- 2ou$ Lin'0'a&'$53u$1 plot an,
,'t'$)in' t(' $/ &alu'.
<. Ma1' a $'si,ual plot to ass'ss t(' Bt -$o) pa$t ,.
;. Con,u%t an F5t'st to s'' 0(i%( )o,'l is t(' +'tt'$ Bt. Fo$ ('lp 0it( F5t'sts s'' Fittin* Cu$&'s to
Lim, Justine Kei T. Final Project
Michaelis-Menten Equation March 8, 201
18"
!ata Usin* Nonlin'a$ #'*$'ssion an, Usin* t(' F5t'st to Co)pa$' T0o Mo,'ls.
*. &ata an# (esults
Matlab Co#e (esults
JJ su+st$at'?=/.5 5 " "5 />K
JJ &o?=./F .36 .53 .6 .6F>K
JJ plotDsu+st$at',&o,LoLE
JJ
2 4 6 8 10 12 14 16 18 20
0.02
0.025
0.03
0.035
0.04
0.045
0.05
0.055
0.06
0.065
JJ )o,'l?MD+,7E +D"E.Nsu+st$at'.9
D+D/E@su+st$at'EK
JJ initial*u'ss?=" ">K
JJ =+'ta,#,O,Co&3,MSE> ?
nlin-itDsu+st$at',&o,)o,'l, initial*u'ssEK
JJ +'ta%i ? nlpa$%iD+'ta,#,OE
+'ta%i ?
.C<F .;33
5.3<F <.<5F
JJ 7?linspa%'D,/,"EK
JJ -?+'taD"E.N7.9D+'taD/E@7EK
JJ plotD7,-,L5LE
JJ
0 2 4 6 8 10 12 14 16 18 20
0
0.01
0.02
0.03
0.04
0.05
0.06
0.07
Lim, Justine Kei T. Final Project
Michaelis-Menten Equation March 8, 201
18#
JJplotD7,,L5L,su+st$at',#,L$pLE
0 2 4 6 8 10 12 14 16 18 20
-1.5
-1
-0.5
0
0.5
1
1.5
x 10
-3
ss$'snonlin?su)D#.P/EK
JJ sstotnonlin?su)DD&o5)'anD&oEE.P/EK
JJ $s4$nonlin?"5Dss$'snonlin9sstotnonlinE
$s4$nonlin ?
.;;C/
JJ
JJ plotD".9su+st$at',".9&o,LoLE
JJ
0.05 0.1 0.15 0.2 0.25 0.3 0.35 0.4
15
20
25
30
35
40
45
JJ -t ? -itt2p'D Lpol2"L EK
JJ opts ? -itoptionsD -t EK
JJ opts.Lo0'$ ? =5In- 5In->K
JJ opts.Upp'$ ? =In- In->K
JJ p?pol2-itD".9su+st$at',".9&o,"EK
JJ 7?linspa%'D,.5,"EK
JJ lin'?pD"E.N7@pD/EK
JJ plotD7,lin',L5LE
JJ
0 0.05 0.1 0.15 0.2 0.25 0.3 0.35 0.4 0.45 0.5
10
15
20
25
30
35
40
45
50
Lim, Justine Kei T. Final Project
Michaelis-Menten Equation March 8, 201
188
JJ #lin?D".9&oE5DDpD"E.ND".9su+st$at'E@pD/EEEK
JJ plotD".9su+st$at',#lin,L$pLE
0.05 0.1 0.15 0.2 0.25 0.3 0.35 0.4
-0.5
0
0.5
1
JJ I)a7?"9DpD/EEK
JJ 8)?I)a7.NpD"EK
JJ ss$'slin?su)D#lin.P/EK
JJ sstotlin?su)DD".9&o5)'anD".9&oEE.P/EK
JJ $s4$lin?"5Dss$'slin9sstotlinE
$s4$lin ?
.;;C6
JJ
JJ F?ss$'slin.9ss$'snonlinK
JJ ,-?l'n*t(D&oE5/K
JJ P?"5-%,-DF,,-,,-E
P ?
C.;;"3'5;
JJ
+. Conclusion
T(' &alu's -o$ t(' lin'a$i6', )'t(o, -all 0it(in t(' %on-i,'n%' +oun,s o- t(' nonlin'a$ &'$sion. !'spit' t('
appa$'nt si)ila$it2 in t('s' $'sults, t(' F5t'st $'&'al', t(at t(' nonlin'a$ -it is statisti%all2 +'tt'$ t(an t('
lin'a$ -it. Lin'a$i6in* t(' ,ata )a1's t(' pa$a)'t'$s 'asi'$ to %al%ulat' +2 (an,, +ut i- a %o)put'$ is
a&aila+l', t(' nonlin'a$ )'t(o, is t(' +'tt'$ %(oi%'. An, t('s' 0'Q$' all o+tain', usin* Matla+. A tool t(at is
an 'as2 0a2 in sol&in* %(')i%al 'n*in''$in* p$o+l')s.
Lim, Justine Kei T. Final Project
Michaelis-Menten Equation March 8, 201
18$
,. -urther (ea#ings
F'$$a$is, G. an, Man'nti, F. D/"E. Int'$polation an, $'*$'ssion )o,'ls -o$ t(' %(')i%al 'n*in''$.
sol&in* nu)'$i%al p$o+l')s. G'$)an2. Ril'25ICH I'$la*
Filo, O. D/"E. In-o$)ation p$o%'ssin* +2 +io%(')i%al s2st')s. n'u$al n't0o$1 t2p' %on-i*u$ations.
N'0 O'$s'2. Ril'2.
Gopal, S. D/;E. 3ioin-o$)ati%s. a %o)putin* p'$sp'%ti&'. In,ia. M%G$a05Hill S%i'n%'9En*in''$in*
Mat(.
Oalu$ia, S. D/"/E. Co)put'$ )'t(o,s -o$ 'n*in''$in* 0it( MATLA3 appli%ations D/
n,
',.E. 3o%a,
#aton,Flo$i,a. C#C P$'ss.
8nop-, F. C. D/"/E. Mo,'lin*, anal2sis an, opti)i6ation o- p$o%'ss an, 'n'$*2 s2st')s.Ho+o1'n,
N'0 O'$s'2. Oo(n Ril'2 an, Sons.
I'lt'n, 8. D/;E. Mat(')ati%al )o,'lin* an, si)ulation. int$o,u%tion -o$ s%i'ntists an, 'n*in''$s.
Sin*apo$'. Ril'25ICH.
.. Assessment ((ubric /or $aborator0 Per/ormance)
Lim, Justine Kei T. Final Project
Michaelis-Menten Equation March 8, 201
1$0
1EC23O$O4"CA$ "351"161E O- 12E P2"$"PP"3E5
(67("C -O( MO&E(3 1OO$ 65A4E
(Engineering Programs)
Stu,'nt Out%o)' D'E. Us' t(' t'%(ni4u's, s1ills, an, )o,'$n 'n*in''$in* tools n'%'ssa$2 -o$ 'n*in''$in*
p$a%ti%' in %o)pl'7 'n*in''$in* a%ti&iti's.
P$o*$a). C(')i%al En*in''$in* Cou$s'. CHE 53!" S'%tion. BBBBBBB BBBBS') SS BBBBBBBB
Per/ormance
"n#icators
6nsatis/actor
0
1
&eveloping
!
5atis/actor0
%
8er0 5atis/actor0
'
5core
". Appl2
app$op$iat'
t'%(ni4u's,
s1ills, an,
)o,'$n
tools to
p'$-o$) a
,is%iplin'5
sp'%i-i%
'n*in''$in*
tas1.
Fails to i,'nti-2
an2 )o,'$n
t'%(ni4u's to
p'$-o$)
,is%iplin'5
sp'%i-i%
'n*in''$in*
tas1.
I,'nti-i's
)o,'$n
t'%(ni4u's
+ut -ails to
appl2 t('s' in
p'$-o$)in*
,is%iplin'5
sp'%i-i%
'n*in''$in*
tas1.
I,'nti-i's )o,'$n
t'%(ni4u's an, is
a+l' to appl2
t('s' in
p'$-o$)in*
,is%iplin'5sp'%i-i%
'n*in''$in* tas1.
#'%o*ni6's t('
+'n'-its an,
%onst$aints o-
)o,'$n
'n*in''$in* tools
an, s(o0s
int'ntion to appl2
t(') -o$
'n*in''$in*
p$a%ti%'.
/. !')onst$at
' s1ills in
appl2in*
,i--'$'nt
t'%(ni4u's
an, )o,'$n
tools to
sol&'
'n*in''$in*
p$o+l')s.
Fails to appl2
an2 )o,'$n
tools to sol&'
'n*in''$in*
p$o+l')s.
Att')pts to
appl2 )o,'$n
tools +ut (as
,i--i%ulti's to
sol&'
'n*in''$in*
p$o+l')s.
S(o0s a+ilit2 to
appl2
-un,a)'ntal
p$o%',u$'s in
usin* )o,'$n
tools 0('n
sol&in*
'n*in''$in*
p$o+l')s.
S(o0s a+ilit2 to
appl2 t(' )ost
app$op$iat' an,
'--'%ti&' )o,'$n
tools to sol&'
'n*in''$in*
p$o+l')s.
3. #'%o*ni6'
t(' +'n'-its
an,
%onst$aints
o- )o,'$n
'n*in''$in*
tools.
!o's not
$'%o*ni6' t('
+'n'-its an,
%onst$aints o-
)o,'$n
'n*in''$in*
tools.
#'%o*ni6's
so)' +'n'-its
an,
%onst$aints o-
)o,'$n
'n*in''$in*
tools.
#'%o*ni6's t('
+'n'-its an,
%onst$aints o-
)o,'$n
'n*in''$in* tools
an, s(o0s
int'ntion to appl2
t(') -o$
'n*in''$in*
p$a%ti%'.
#'%o*ni6's t('
n'', -o$ +'n'-its
an, %onst$aints o-
)o,'$n
'n*in''$in* tools
an, )a1's *oo,
us' o- t(') -o$
'n*in''$in*
p$a%ti%'.
1otal 5core
Mean 5core 9 (1otal 5core : %)
Percentage (ating 9 (1otal 5core : 1!) ; 1<<=
E&aluat', +2. BBBBBBBBBBBBBBBBBBBBBBBBBBBBBBBBBBBBBB BBBBBBBBBBBBBBB
P$int', Na)' an, Si*natu$' o- Fa%ult2 M')+'$ !at'
Lim, Justine Kei T. Final Project
Michaelis-Menten Equation March 8, 201
1$1