Modeling, Design and Analysis of Batch Distillation Assignment One Overview of the Different Models of Batch Distillation By Vijay

Krishna Bodla (s04 4!"# $oril D%dley &%rner (s04 4! #

Version 4

&a'le of (ontents &o)ic Introduction 1. Rayleigh Model 2. Short Cut Model 3. Simple Model 4. Rigorous Model 5. Rigorous Model ith Chemical Reaction !ncon"ential #atch $istillation 1. Continuous Column #atch $istillation 2. In"erted #atch $istillation 3. Middle %essel #atch $istillation 4. Multi"essel #atch $istillation Comparing '!( Short Cut Models Comparing Simple and Continuous Models Comparing Rigorous Models '!( Model 'rom Seader and )enley '!( Model *rom Mu+ta,a Rigorous Model Seader and )enley Method o* Calculation .lgorithm *or Rigorous ,ased model 'lo Chart *or Rigorous ,ased model *age 1 1 4 8 10 12 13 14 15 18 1& 20 21 22 23 24 25 228 30

+ntrod%ction
#atch distillation is the process o* separating a speci*ic /uantity o* a li/uid mi0ture into products. 1he *eed mi0ture is charged to the e/uipment and one or more products are ithdra n. 1he composition o* ,oth the initial charge and distillate changes ith time2 there is no steady state. 1he relati"e amount o* the lo er ,oiling components in the charge decreases as distillation proceeds. Se"eral models are a"aila,le *or sol"ing ,atch distillation pro,lems.

Different Models
# ,ayleigh Model 1his is the model *or a single stage ,atch distillation. 1he still is charge and the charge heated to *orm "apor. 1he "apor produce is in e/uili,rium ith the li/uid remaining in the still. %apor is remo"ed as soon as it is *ormed. 3one is returned to the still as re*lu0 a*ter condensation. Mass 'alance .t any instant the rate o* output is $ and the rate o* depletion is 4d5dt 678. $ is the distillate and 7 is the residue. 1otal ,alance2 4d5dt 678 9 $. 1here*ore 47 9 $dt $oing a component ,alance2 4d5dt 670 8 9 $yd 61.18 61.28

)ere 0 is the instantaneous mole *raction o* the more "olatile component in the residue and yd is the mole *raction in the distillate. 7e can there*ore rite ,y sol"ing the e/uation 61.282 7d0 : 0 d7 9 ydd7 61.38

Separating the "aria,les and integrating ;/ 61.38 ,et een 7o and 72 and 0o and 02 here 7o is the initial charge and 0o the mole *raction o* the more "olatile component in this charge2 e get2

7o

<7 d757 9 0o <0 d0 56yd = 0 8

61.48

1he right hand side o* ;/ 61.48 can only ,e integrated analytically *or the *ollo ing cases2 a8 7hen e ha"e conditions here the e/uili,rium relationship y 9 >0 can ,e apply2 so e can su,stitute this relationship *or y. ?n integrating e ill no get2 ln 6757o8 9 15 6>418 ln6050o8 61.58

,8 'or a ,inary mi0ture i* the relati"e "olatility2 @2 is constant2 e can get yd2 the instantaneous distillate composition *rom the *ollo ing relationship2 y 9 @0 5 61 : 6@ = 18 0 8 61.A8

Su,stituting the e/uation 61.A8 *or y into the integral e0pression 61.58 and integrating ,et een the limits ill gi"e2 ln 6757o8 9 15 6@ = 18 Bln 60o508 : @ ln 614 0514 0o8C 61.-8

?ther ise2 i* the e/uili,rium relationship2 y 9 *608 is in graphical or ta,ular *orm2 integration can ,e per*ormed graphically or numerically. A))lications 1he Rayleigh model is *airly limited in its application. ItDs a single stage ,atch distillation2 ithout any re*lu0. Sharp separations cannot ,e achie"ed ,y this techni/ue2 unless the magnitude o* the relati"e "olatility approaches in*inity *or the components ,eing separated. .s a result this model is only use*ul *or separating ide ,oiling mi0tures2 here e0tremes o* purity are not re/uired. 1he model can there*ore only ,e used *or distillate and residue calculations *or a single theoretical stage.

"# -hort (%t Model 1his model is ,ased on the assumption that ,atch distillation can ,e represented as a series o* continuous distillation operations o* short duration. It can ,e applied to multicomponent2 multistage ,atch columns2 ith constant re*lu0 and "aria,le distillate composition2 or "aria,le re*lu0 and constant distillate composition. 1his method a"oids stage ,y stage calculations o* "apor and li/uid compositions ,y employing the 'ens>e4 !nder ood4(illiland 6'!(8 shortcut procedure *or continuous distillation. 3o estimation is made o* compositions or temperatures2 at intermediate stages. Mass 'alance 4d5dt 678 9 $ $ 9 %5 61 : R8 62.18 62.28

7 is the residue2 % is the "apor lea"ing the column2 $ is the distillate and R is the re*lu0 ratio. 1he accumulated distillate o"er some time Et2 t1 4 to2 is gi"en ,y2 )a 9 $Et 62.38

I* e start ith an initial charge o* 7o2 an o"erall mass ,alance2 a*ter Et2 is2 7o 9 71 : )a 62.48 $i"iding ;/ 62.48 through out ,y Et to appro0imate continuous distillation o"er the time step2 one can rite2 '97:$ 7here ' 9 705Et2 7 9 715Et2 $ 9 )a5Et. $oing a component ,alance2 '0'i 9 70 i : $0di 444444444444444444 62.A8 ;/ 62.A8 can also ,e ritten as 0 i 9 6'0'i = $0di857 62.-8
5

62.58

1he 0 i *rom the current distillation step ,ecomes 0'i *or the ne0t distillation step. 1he distillate composition2 0di is estimated using the '!( method. 'ens>e e/uation is used to calculate the minimum num,er o* trays. 'ens>e e/uationF 3min 9 ln 660di50d>8 60 >50 i885ln @i 62.88

$e*ine C1 9 3min. G)engeste,ec>4(eddesD ;/uation can ,e used to calculate 0di2 Hdi 9 6@i5@18 C1 60d150 18 0 i2 i 9 22 3 ...n and I0di 9 12 summing *rom i 9 1 to n. 0d1 in ;/ 62.&8 is estimated using the *ollo ing e/uation 0d1 9 15 6I 6@i5@18 C1 60 i50 18 62.108 62.&8

1he !nder ood e/uations can ,e used to ma>e an estimate o* the minimum re*lu0 ratio *or cases here the *eed is at its ,u,,le point. !nder ood ;/uationsF I 6@i 0 i85 6@i = J8 9 0 1he J in ;/ 62.118 is calculated and used in the *ollo ing e/uation to calculate the Rmin2 u. Rmin2 u : 1 9 I 6@i0di5@i4J8 62.128 62.118

1he (illiland correlations hich can ,e used to estimate the num,er o* theoretical stages areF H 9 6R = Rmin2 u856R:18 K 9 63 = 3min85 63 : 18 Rmin2 g 9 R4 H6R : 18 62.138 62.148 62.158

1hus Rmin2 g and 3min are calculated *rom the e/uations 62.148 and 62.158.
A

1he *ollo ing condition has to ,e satis*ied *or C1 estimation2 (c 9 6Rmin2 u5R8 = Rmin2 g5R L 0 1hese e/uations are then sol"ed iterati"ely to *ind C1 and 0di until con"ergence. Method of -%ndaram and .vans / -eader and 0enley

62.1A8

.nother approach is presented in the ,oo> GSeparation MrocessesD ,y N. $. Seader and ;rnest N. )enley called the Sundaram and ;"ans method. 7ith this method an instantaneous ,alance around the column is done2 hich yields the *ollo ing component ,alance *or component i2 d0 i 9 60$i = 0 i8 d75dt .n o"erall ,alance yields2 4d75dt 9 %5 61 : R8 62.1-8 62.188

1hese e/uations are then ritten in *inite di**erence *orm using ;ulerDs method respecti"ely. 0
i 6>:18

90

6>8

: 60$i6>8 = 0

6>8 i

8B676>:18 = 76>88576>8C

62.1&8 62.208

7 6>:18 9 7> = 6%5 61 : R88 Et 1he 'ens>e e/uation is ritten in terms o* 0$i2 0$i 9 0 i 60$r50 r8@i2r3

62.218

)ere r is a re*erence component o* the mi0ture2 generally the least "olatile component. Since I0$i 9 12 *rom i 9 1 to c2 the num,er o* components2 e can re rite the 'ens>e e/uation in terms o* 0$r as 0$r 9 0 r56I0 i@i2r38 62.228

1his e/uation 62.218 is used to compute the initial distillate composition2 0$608. 1he remaining "alues o* 0$i608 can then ,e computed *rom the modi*ied 'ens>e e/uation.

!sing the initial "alues o* 0$i 6082 "alues o* 71 and 0 i 618 are then computed. 1he '!( method is then used to compute each su,se/uent set o* 0 i 6>:18 *or > O 02 *or each successi"e time step. 3min is related to 3 ,y the (illiland correrelation. . con"enient ,ut appro0imate e/uation o* correlation ,et een 3min and Rmin2 is gi"en ,y ;dul+ee as2 63 4 3min85 3:1 9 0.-561 = 66R4Rmin85R:180.5AA88 62.238

.n estimate o* the minimum re*lu0 ratio is gi"en ,y the class I !nder ood e/uations2 Rmin 9 B6H$PQ5H
PQ

8 = @PQ2)Q6H$)Q5H

)Q

8C56@PQ2)Q = 18

62.248

I* 62.218 ith i 9 12 r 9 C2 and 3 9 3min and 62.218 ith r 9 C is su,stituted into 62.2482 e get2 Rmin 9 6@12C3min = @12C85B6@12C = 18IH i@i2C3minC 62.258

3min and Rmin are calculated *rom ;/ 62.238 and ;/ 62.258 simultaneously ,y an iterati"e methodR 0$r1 is then calculated2 ith 3 no e/ual to 3min using ;/ 62.2282 *ollo ing hich the other "alues o* 0$i can then ,e calculated. 0 i2 and 72 are then determined using ;/s 62.1&8 and 62.208. A))lications 1his method can ,e used *or calculating residue compositions and distillate composition *or a multicomponent system. 1o achie"e a sharp separation2 tray or pac> columns are re/uired to ,e located a,o"e the still2 along ith a means o* sending re*lu0 ,ac> to the column. I* the re*lu0 ratio2 R2 is *i0ed2 distillate and still compositions "ary ith time. . constant molal "apor rate can ,e maintained2 hile continuously "arying the re*lu0 ratio. 1he shortcut model can ,e applied in either case to estimate residue and distillate compositions. . limitation though is that the 'ens>e e/uation can only ,e applied *or situations here condenser and column hold ups are negligi,le2 hich is not al ays the case. !se o* the 'ens>e e/uation is also dependent on the method used to start up the column. 1he 'ens>e e/uation can only ,e used i* total re*lu0 is employed as the start up method.

1# -im)le Model 1his model is ,ased on the assumptions o* constant relati"e "olatility and e/uimolal o"er*lo and includes detailed plate to plate calculations. 1he model is *or a multistage2 multicomponent system ith a constant re*lu0 ratio. Mass 'alance 1he e/uations *or the condenser are done *irst2 then the e/uations *or the accumulator. 1his is then *ollo ed ,y the e/uations *or the accumulator2 *ollo ed ,y the e/uations *or the plates in the column and the re,oiler. a# Acc%m%lator and (ondenser 'or the accumulator one can rite the *ollo ing total ,alance e/uation2 d5dt 6)a8 9 P$ 63.18

here )a is the amount o* product in the accumulator and P$ is the incoming li/uid *rom the condenser. $oing a component ,alance2 *or component i2 one can rite2 d5dt 6)a0ai8 9 P$01i ;/ 63.28 is e0panded as d5dt 60ai8 9 P$5)a 601i = 0ai8 'or the condenser2 one can rite the *ollo ing total ,alance e/uation2 d5dt 6)c8 9 % = P$ 63.48 63.28 63.38

here )c is the hold up li/uid in the condenser2 and % is "apor *rom tray 2. $oing a component ,alance one can rite2 d5dt 6)c01i8 9 %y2i = P$01i. Sol"ing this ill yield the *ollo ing e/uation2 d5dt 601i8 9 %5)c 6y2i = 01i8 63.58

1he internal re*lu0 ratio is de*ined as P 9 r%. % 9 P$ : P2 hich gi"es2

&

P$ 9 % 614r8 '# +nternal )lates and re'oiler

63.A8.

1he same types o* material ,alances can ,e done *or the internal plates and the re,oiler to gi"e2 i8 'or the internal platesF d0+2i5dt 9 %5)+ 6y+:12i = y+2i8 : P5)+60+412i = 0+2i8 63.-8

+ 9 22 to n41 and i 9 1 to nc2 assuming a constant molar plate holdup. 1he "apor li/uid e/uili,rium relationship is ritten asF y+2 i 9 @i0+2 i5 6I 6@>0+2>88 ii8 'or the re,oiler )3 6d032 i5dt8 9 P 603412 i4 032 i8 = % 6y3 = 032 i8 63.&8 63.88

(i"en the num,er o* trays2 e/uations can ,e ritten *or each stage and sol"e simultaneously *or 0i2 n2 the "apor li/uid e/uili,rium relationship is then used to compute "alues *or yi2 n. A))lications 1his model can ,e used to compute tray ,y tray compositions2 *or the ,atch column. )ence it is a model hich pro"ides /uic> estimates o* the per*ormance o* a ,atch column2 in terms o* component distri,utions. )o e"er2 its results are only "alid i* the *ollo ing assumptions are satis*iedF a8 constant molar holdup *or condenser and internal plates. ,8 1otal condensation ithout su,4cooling. c8 3egligi,le "apor holdup d8 Mer*ect mi0ing o* "apor and li/uid on the plates e8 3egligi,le heat losses *8 1heoretical plates g8 'eed mi0ture at its ,u,,le point h8 .dia,atic column
10

i8 3egligi,le pressure drop across the column 4# ,igoro%s Model 1he rigorous model is ,ased on the assumptions o* e/uili,rium stages2 per*ect mi0ing o* li/uid and "apor phases at each stage2 negligi,le "apor hold up2 constant li/uid hold up2 M2 on a stage and in the condenser system and adia,atic stages in the column. 1he stages are num,ered *rom top to ,ottom. 1o initiate operation *eed is charged to the re,oiler2 to hich heat is supplied. 1he "apor lea"ing stage 1 at the top o* the column is totally condensed and passed to the re*lu0 drum. .t *irst2 a total re*lu0 condition is esta,lished *or a steady state *i0ed o"erhead "apor *lo rate. $epending upon the amount o* li/uid hold up in the column and in the condenser system2 the amount and composition o* the li/uid in the re,oiler at total re*lu0 di**ers to some e0tent *rom the original *eed. Starting at some time2 t 9 02 distillate is remo"ed *rom the re*lu0 drum and sent to an accumulator at a constant molar rate2 and a re*lu0 ratio is esta,lished. 1he heat trans*er rate to the re,oiler is ad+usted so as to maintain the o"erhead "apor molar *lo rate. Model e/uations ,ased on total material ,alances2 component material ,alances2 and energy ,alances are deri"ed *or the o"erhead condensing system2 the column stages and re,oiler. Mass and energy 'alance 1otal material ,alanceF %1 = P0 = $ 9 dM05dt Component material ,alanceF %1yi2 1 = P00i2 0 = $0i2 $ 9 d5dt 6M00i2 08 ;nergy ,alanceF %1h"1 = 6P0 : $8 hP0 9 S0 : d5dt 6M0hP08 1he deri"ati"e terms are accumulation due to hold up. 64.18 64.28 64.38

11

'or phase e/uili,rium at stage 12 yi2 1 9 Qi2 0i2 1 1hese yield the *ollo ing sets o* e/uationsF a8 ?"erhead condensing system Component ,alanceF d0i205dt 9 B6P0 : $ : dM05dt85M0C 0i20 : B6%1Qi2185M0C *or i 9 1 to C components. 1otal mole ,alancesF %1 9 $6R:18 : dM05dt ;nthalpy ,alanceF S0 9 %1 6h"1 = hP08 = M0 6dhP05dt8 ,8 Column stages Component ,alanceF d0i2 +5dt 9 BP+415M+C 0i2 +41 = B6P+ : Qi2 +%+ : dM+5dt85M+C 0i2 + : B6Qi2 +:1%+:185M+C 0i2 +:12 *or i 9 1 to C 1otal mole ,alanceF P+ 9 %+:1 : P+41 = %+ = dM+5dt ;nthalpy ,alanceF %+:1 9 15 6h"+:1 = hP+8 B%+ 6h"+ = hP+8 = P+416hP+41 = hP+8 : M+ 6dhP+5dt8C2 *or + 9 1 to n c8 Re,oiler Component ,alanceF d0i2 3:15dt 9 6P35M3:18 0i2 3 = B6%3:1Qi2 3:1 : 6dM3:15dt885M3:1C 0i2 3:12 *or i 9 1 to C ;nthalpy ,alanceF S3:1 9 %3:16h"3:1 = hP3:18 = P36hP3 = hP3:18 : M3:16dhP3:15dt8 P0 9 R$

64.48

64.58 64.A8 64.-8

64.88 64.&8 64.108

64.118 64.128 64.138

Mhase ;/uili,rium relationships *or the column stages and the re,oiler can ,e ritten2 yi2+ 9 Qi2+0i2+2 under the restriction that Iyi2+ 9 12 *or i 9 1 to C and + 9 1 to 3: 1
12

1hese e/uations can ,e sol"ed under the *ollo ing conditionsF a8 Constant %olume )old !p 6C%)8 ,8 Constant Molar )old !p 6CM)8 1hey constitute initial "alue pro,lems *or a system o* ordinary di**erential e/uations. .nalytical solutions are di**icult2 so these systems o* e/uations are generally sol"ed numerically. A))lications 1his techni/ue can ,e used *or predicti"e modeling purposes once the assumptions that are used in its deri"ing are met. 1he accuracy o* the model ill depend on the thermodynamic models used *or "apor li/uid e/uili,rium data and *or predicting enthalpy. 1he *act that enthalpy calculations are used in this model ma>es it a ,etter model *or predicti"e purposes than the Short Cut Model and the Simple Model. 1his is ,ecause i* the conditions o* e/uimolal o"er*lo are not met2 the enthalpy calculations that are used as part o* the iterati"e process *or calculating compositions ill still ensure that good results are o,tained. 2# ,igoro%s Model with (hemical ,eactions 1he assumptions made *or the rigorous model are used *or the rigorous model ith chemical reactions. 'urther assumptions are that there are no chemical reactions in the "apor phase and in the condenser accumulator. Reaction >inetics data2 hich can ,e ritten as2 r+i 9 r+i6>r2 0$8 Tn+ 9 Ir +i are needed in order to model the reactions. Mass and .nergy 'alance e3%ations4 a8 Condenser and .ccumulator2 + 9 1R i 9 1 to C. .ccumulator total mass ,alanceF d)a5dt 9 P$ 65.38
13

65.18 65.28

.ccumulator component ,alanceF d5dt 6)a0ai8 9 P$0$i Condenser )old up 1an> component ,alanceF d5dt 6)c0$i8 9 %2y2i : r1i)c 4 Pc0$i ;nergy ,alanceF d5dt 6)ch1P8 9 %2h2" = Pch1P 4 Sc ,8 Internal Mlates2 + 9 2 to 63 = 18R i 9 1 to nc 1otal mass ,alanceF d)+5dt 9 P+41:%+:1 = P+ = %+ : Tn+)+ Component mass ,alanceF d5dt 6)+0+2i8 9 P+410+412i : %+:12i = P+0+i = %+y+i : r+i)+ ;nergy #alanceF d5dt 6)+h+P8 9 P+41h+41P : %+:1h+:1" = P+h+P 4 %+h+" ;/uili,rium relationshipF y+i 9 >+i0+i2 under the restriction that Iyi+ 9 1 c8 Re,oiler2 + 9 3R i 9 1 to nc 1otal mass ,alanceF d)35dt 9 P341 = %3 : Tn3)3 Component mass ,alanceF d5dt 6)303i8 9 P34103412 i4%3y3i:r3i)3 ;nergy ,alanceF d5dt 6)3h3P8 9 P341h341P = %3h3" :SR A))lications 1his is +ust an e0tension o* the rigorous model. 'rom the material and energy ,alances2 thermodynamic data and >inetic data2 compositions o* distillates2 residues and tray compositions can ,e computed.

65.48 65.58 65.A8

65.-8 65.88 65.&8

65.108 65.118 65.128

5nconventional methods of Batch Distillation and Models

14

In con"entional #atch $istillation the condenser holdup is small and light product is remo"ed continuously *rom the o"erhead o* the column. !ncon"entional processes do not *ollo a speci*ic procedure. So2 there are a lot o* uncon"entional methods and models descri,ing them. # (ontin%o%s (ol%mn Batch Distillation 4 It is ,ased on the assumption o* constant relati"e "olatility and e/uimolal o"er*lo . . continuous column ith 3 stages ith a condenser at the top and a re4,oiler at the ,ottom. 1here is also a recycle *rom the condenser2 and the product is collected as distillate. 1he li/uid *rom the re4 ,oiler is collected as the ,ottom product. 'eed is introduced in any o* the intermediate trays. 1he e/uations *or the "arious stages are gi"en asF 'or the condenser2 y2i = 01i 9 0 and 0ai = 01i 9 0 6A.18 6A.28

since the composition o* the li/uid re*lu0 is same as that o* the distillate. 1he re*lu0 ratio is de*ined as R 9 P5% hich can *urther ,e ritten as R 9 6% 4 P$85%. So2 P$ 9 % 61 4 R8 Component Mass ,alance *or the Internal Mlates2 'eed plateF P0+412i = PU0+2i : %6y+:12i = y+2i8 : '0' 9 0 .,o"e *eed plateF P60+412i = 0+2i8 : %6y+:12i = y+2i8 9 0 #elo *eed plateF PU60+412i = 0+2i8 : %6y+:12i = y+2i8 9 0 'eed plate 1otal Mass #alanceF ' : P 4 PU 9 0 %apour Pi/uid ;/uili,riumF y+2i 9 @i0+2i 5 Q91ncI @>0+2> 'or the re,oiler2
15

6A.38

6A.48 6A.58 6A.A8 6A.-8 6A.88

1otal Mass #alanceF 1otal Component #alanceF

PU = P# = % 9 0 PU03412i = P#03i = %y3i 9 0

6A.&8 6A.108

"# +nverted Batch Distillation (ol%mn(+BD# 4

1his column is proposed ,y Ro,inson and (illiland also re*erred to as the ,atch stripper. 1he *eed is charged to the top o* the column and the hea"y products are dra n *rom the ,ottom o* the column. 1hese columns are considered ,etter than the con"entional columns *or separations ith a small amount o* light component. It is also sometimes used *or separation o* aVeotropic mi0tures. 1he e/uations *or the intermediate plates *or models 32 4 and 5 presented earlier in the discussion *or con"entional processes do not change *or this column ,ecause the e/uations are *or the molar component ,alance o* each plate and the e/uili,rium relationship hich are the same in this case too and molar holdup rate remains a constant "alue. 1he e/uations *or condenser and re,oiler change as *ollo sF &y)e 1 4 Simple ModelF 'or the condenser2 the component ,alance is )cd01i5dt 9 %y2i = P01i 6-.18

here )c is the amount o* *eed2 01i is the mole *raction o* the component i in the *eed entering into the 1st tray or the 2nd stage. y2i is the mole *raction o* the "apour entering the total condenser. 1he total mass ,alance o"er the product tan> is d)R5dt 9 P# 1he component mass ,alance is gi"en as )Rd0Ri5dt 9 P# 603i 4 0Ri8 6-.38 6-.28

1A

'or the re4,oiler2 the component ,alance is gi"en as )3d03i5dt 9 P03412i = P#032i = %y32i 1he re,oil ratio de*inition is R, 9 %5P &y)e 4 4 Rigorous Model = C%)F 'or the condenser2 the total mass ,alance is d)c5dt 9 %2 = P1 6-.A8 here )c is the amount o* *eed2 %2 is the amount o* "apour entering the total condenser2 P1 is the amount o* li/uid entering the 1st tray or the 2nd stage. 1he component mass ,alance is d6)c01i85dt 9 %2y2i = P101i
st

6-.48 6-.58

6-.-8

here 01i is the mole *raction o* the component i in the *eed entering into the 1 tray2 y2i is the mole *raction o* the "apour entering the total condenser. 1he energy ,alance is gi"en as d6)ch1P85dt 9 %2h2% = P1h1P = SC 1he total mass ,alance o"er the product tan> is d)R5dt 9 P# 1he component mass ,alance is gi"en as d6)R0Ri85dt 9 P#603i 4 0Ri8 'or the re4,oiler2 the total mass ,alance is gi"en as d)35dt 9 P341 = P# = %3 1he component ,alance is gi"en as d6)303i85dt 9 P34103412i = P#032i = %3y32i 6-.128 6-.118 6-.108 6-.&8 6-.88

1-

1he energy ,alance is gi"en as d6)3h3P85dt 9 P341h341P = P#h3P = %3h3% : SR 1he re,oil ratio de*inition is R, 9 %35P341 &y)e 2 = Rigorous Model ith Chemical reactionF 'or the condenser2 the total mass ,alance is d)c5dt 9 %2 = P1 : Tn1)c here Tn 9 Ir1i. 1he component mass ,alance is d6)c0ci85dt 9 %2y2i = P101i : rci)c 1he energy ,alance is gi"en ,y the e/uation d6)ch1P85dt 9 %2h2% = P1h1P = SC 1he total mass ,alance o"er the product tan> is d)R5dt 9 P# 1he component mass ,alance is gi"en as d6)R0Ri85dt 9 P#603i40Ri8 'or the re4,oiler2 the total mass ,alance is gi"en as d)35dt 9 P341 = P3 = %3 : Tn3)3 1he component ,alance is gi"en as d6)303i85dt 9 P34103412i = P#032i = %3y32i : r3i)3 1he energy ,alance is gi"en as d6)3h3P85dt 9 P341h341P = P#h3P = %3h3% : SR 6-.238
18

6-.138 6-.148

6-.158

6-.1A8

6-.1-8

6-.188

6-.1&8

6-.218

6-.228

1he re,oil ratio de*inition is r, 9 %35P341 1# Middle Vessel Batch Distillation (ol%mn (MV(# 4

6-.248

It is a *urther generaliVation o* the in"erted column hich has ,oth the recti*ying and the stripping sections. . *eed mi0ture is charged to the middle "essel and products are dra n *rom ,oth the top and the ,ottom. It is also sometimes re*erred to as comple0 ,atch distillation column. 1he e/uations are the same as that o* the in"erted column e0cept *or the condenser2 ,ut the "apour and the li/uid *lo rates in the recti*ying section and the stripping section are not the same. &y)e 1 4 Simple ModelF 'eed Mlate 6+ 9 3'8 'eed 1an>F 1otal Mass #alanceF Component #alanceF 'eed MlateF 1otal Mass #alanceF P 4 PU :' = P* 9 0 68.38 68.48 d)*5dt 9 P* = ' )*d0*i5dt 9 P* 60+i = 0*i8 68.18 68.28

Component #alanceF )*d0*i5dt 9 P0+412i = PU0+2i : %6y+:12i = y+2i8 : '0*i = P*0+i &y)e 4 4 Rigorous Model 6C%)8F 1he li/uid and the "apour *lo rates "ary throughout the column. 'eed 1an>F 1otal Mass #alanceF Component #alanceF d)*5dt 9 P* = ' d6)*0*i85dt 9 P* 0+i = '0*i

68.58 68.A8

1&

'eed MlateF 1otal Mass #alanceF P+41 = P+ : %+:1 4 %+ : ' = P* 9 d)*5dt 68.-8 68.88 68.&8

Component #alanceF d6)*0*i85dt 9 P+410+412i = P+0+2i : %+:1y+:12i = %+y+2i : '0*i = P*0+i ;nergy #alanceF d6)*h+P85dt 9 P+41h+412P = P+h+P : %+:1h+:12% = %+h+2% : 'h*P = P*h+P &y)e 2 4 Rigorous Model ith Chemical ReactionF 'eed 1an>F 1otal Mass #alanceF Component #alanceF 'eed MlateF 1otal Mass #alanceF P+41 = P+ : %+:1 = %+ : ' = P* : Tn+)+ 9 d)+5dt Component #alanceF d6)+0+i85dt 9 P+410+412i = P+0+2i : %+:1y+:12i = %+y+2i : '0*i = P*0+i ;nergy #alanceF d6)+h+P85dt 9 P+41h+412P = P+h+P : %+:1h+:12% = %+h+2% : 'h*P = P*h+P 4# M%ltivessel Batch Distillation (ol%mn (M%ltiBD# 4 d)*5dt 9 P* = ' : Tn*)* d6)*0*i85dt 9 P* 0+i = '0*i : r*i)*

68.108 68.118

68.128 68.138 68.148

It is still a *urther generaliVation o* ,atch distillation including the in"erted column and the middle "essel column. It may ,e "ie ed as a stac>ing o* se"eral columns on top o* each other. 1he distillate is dra n is intermediately ,et een the columns. It is most recently operated at total re*lu0. 1he model e/uations *or the condenser2 re,oiler and internal plates are the same as that o* the con"entional ,atch distillation column. 1he model e/uations *or di**erent "essels o* the column are same as those o* the *eed tan> o* the middle "essel ,atch distillation column e0cept that there are no *eed plate model e/uations. So2 separation o* 3c components ould re/uire
20

3c41 accumulators. 1he column per*orms "ery ell under many di**erent *eed compositions. #y *eeding the column in the right "essel2 or di"iding the *eed among the "essels2 the column ill outper*orm the con"entional ,atch in any case.

(om)arisons 'etween vario%s Models

# (om)aring the 657 method in -eader and 0enley with the 657 shortc%t model in +8M M%jta'a In the Seader and )enley the material ,alance e/uations are ritten as di**erential e/uations ith time as the independent "aria,le. 1he dependent "aria,le is the residue or ,ottoms *or the total ,alance and the residue compositions *or the component ,alance. In the Mu+ta,a2 the material ,alance e/uations are ritten as *or continuous distillation2 o"er short time inter"als o* Tt. 'or each time step in the distillation process2 using the method in Seader and )enley2 the *inite di**erence method o* ;uler is used to sol"e the di**erential e/uations *or ne "alues o* 7 and H . In the ,oo> ,y Mu+ta,a2 the "alues o* H *rom the current distillation step ,ecome H' *or the ne0t distillation step. H ne is calculated *rom2 H ne 9 6'0'i = $0di857. 1he method in Seader and )enley uses the 'ens>e e/uation *or the num,er o* stages 3 at t 9 02 to determine H$r2 here r is an ar,itrary re*erence component o* the mi0ture. ?nce H$r is determined2 then H$i can ,e determined. 7ith H$i determined2 then it possi,le to calculate H i. 1o calculate each su,se/uent "alues o* H i2 at each successi"e time inter"als2 "alues o* H$i are needed. 3 no has to ,e replaced ,y 3min in the 'ens>e e/uation. 1he (illiland correlation is used to calculate 3min2 using an appro0imate e/uation *or that correlation due to ;dul+ee. Rmin is needed *or this correlation. 1his is o,tained *rom the Class 1 !nder ood e/uation2 hich assumes that all components in the charge distri,ute ,et een the top

21

and the ,ottom products. #oth e/uations are sol"ed simultaneously ,y an iterati"e techni/ue in order to o,tain Rmin and 3min. 1he method presented ,y Mu+ta,a also uses 3 as the *irst guess *or 3min. )o e"er2 the Class 11 !nder ood correlations are used to calculate2 the minimum re*lu0 ratio2 Rmin2 u2 *or the ne0t time inter"al. 1his is a ,etter method2 i* components do not distri,ute ,et een the t o products. 1he (illiland correlation is then used to estimate 3min. 1he (illiland correlation is also used to o,tain another "alue *or the re*lu0 ratio2 Rmin2 g. Rmin2 u L Rmin2 g. 1he 3min o,tain ,y this method2 should ,e appro0imately e/ual2 to that ,y the 'ens>e method. I* not2 3min o,tain ,y 'ens>e is used to calculate ne "alues o* H$i2 until there is con"ergence. 1he H$i "alues and H i "alues o,tained hen there is 3min con"ergence are used to calculate the ne "alues o* H$i and H i. 28 -im)le and (ontin%o%s MethodsF a8 In simple model ,atch distillation2 the change in mass o* the component in each stage is considered e/ual to the change in the mass o* the component in the "apour phase and the li/uid phase. In e/uations2 d6)+0+2i85dt 9 %6y+:12i = y+2i8 : P60+412i = 0+2i8 here )+ is the holdup o* the stage + and 0+2i is the mole *raction o* the component i in the stage +. 1he uncon"entional continuous ,atch distillation operates +ust as a continuous column *or a short duration o* time and the *eed is pumped in at any stage and has the same *lo rate and mole *raction ith respect to time in the total time inter"al. 1hus the e/uations ould ,e the same as that o* a continuous column. 'eed plateF .,o"e *eed plateF #elo *eed plateF P0+412i = PU0+2i : %6y+:12i = y+2i8 : '0' 9 0 P60+412i = 0+2i8 : %6y+:12i = y+2i8 9 0 PU60+412i = 0+2i8 : %6y+:12i = y+2i8 9 0 7here PU 9 ' : P

,8 1he assumptions as constant relati"e "olatility2 the e/uimolal o"er*lo and constant li/uid holdup are the same in ,oth cases ,ut still the continuous

22

column runs on the principle o* constant mole *ractions o* the components ith respect to time in di**erent stages. 1# ,igoro%s Model -eader and 0enley with ,igoro%s Model M%jta'a 18 In the mu+ata,a ,oo> *or the rigorous model2 he considers an e0tra stage2 the accumulator2 *or the material and energy ,alance calculations here as the seeder does not. so2 the material and energy ,alance calculations di**er. 28 1he mole *raction o* the component in the recycle is e/ual to that o* the distillate in the mu+ta,as system *or rigorous model and in case o* the seeders system it is di**erent. So in the seeders system the change in the mole4*raction o* the distillate product is proportional to the change in the condenser composition 6mole4*raction8. #ut still ,oth the cases run ith a constant molar li/uid hold4up 6considering mu+ta,as constant molar hold4up rate rigorous model8. 38 'or the condenser2 e/uations as *ar as the material and the energy ,alances part is considered2 e thin> that the mu+ta,as model is ,etter it has only one di**erential term compared to seeders t o di**erential terms inside the e/uations. 48 #ut in the seeders model is ,etter in a ay that the *inal e/uations *or material ,alances in the condenser2 columns2 and re,oiler sho a linear relationship o* the change in the mole4*ractions ith respect to time ith the mole4*ractions i.e2 hen plotted in graph it ould ,e straight line. So2 e thin> ith "alues *or say t o time inter"als e can get the "alues *or all the stages at all the times ith an interpolated graph. 58 In the seeders model i* e change the intial mole4*raction o* the component in the re,oiler say maintaining all other "alues constant2 e suppose that e get parallel lines in the graph o* the change in mole4*raction .r.t time on y4a0is and mole4*ractions and 04a0is hich means that all the "alues can ,e interpreted *rom one single point. 6still has to ,e "eri*ied8 A8 #oth models generate systems o* $.;s that has to ,e sol"ed numerically. 6low Diagram showing the 657 short c%t method from M%jta'a
23

Read '2 H'i Q90 Calculate 72 $. $ 9 %5 61:R8 '97:$ 3 9 3min 9 C1 Calculate H$12 then used the )engeste,ec>4(eddes e/uation to calculate the remaining H$i2 i 9 1 to 3c 4 1 Calculate Rmin using the !nder ood ;/uations Calculate 3min using Rmin2 and the (illiland u correlations calculate 3min2g Calculate 3min2 ' using 'ens>e e/uation

3min2 g 9 3min2 '

C1 9 3min2 '

Q 9 Q : 1 W t 5Et

Calculate H 2 ne

24

Seader4)enley Rigorous Method

Read Initial Charge2 'eed composition2 Hi2 Molar )old ups *or Condenser2 internal plates and re,oiler. $etermine time step Et Calculate Re*lu02 distillate and "apor *lo rates. Q 9 02 t 9 0 -olve the system of DA.s %sing a n%merical integration techni3%e for the OD.. 18 Component mole ,alances *or the o"erhead condensing system2 column stages and re,oiler. 28 Calculate enthalpies *or condensing system2 adia,atic column stages2 and re,oiler 38 Calculate ;/uili,rium relationships using thermodynamic models 48 Mole *raction sum in the column stages and the re,oiler 58 Molar hold ups in the condenser system and column stages ,ased on constant "olume hold ups. A8 %ariation o* molar hold up in the re,oiler 3?

Q 9 Q : 1 O t 5 Et
K;S

Mrint Computed Results

25

Method of (alc%lation 'or a *i0ed charge i.e2 >no n moles and thus mole *ractions2 the ,atch column operation simulation has to ,e done. 1he operation usually ta>es place at *i0ed pressure conditions. !nder these conditions the ,u,,le point temperature o* the mi0ture can ,e o,tained *rom thermodynamic calculations and then e can *ind the yi "alues. 1he column is run at total re*lu0 until it reaches steady state conditions or until the re/uired distillate composition is o,tained. 1he models hich can thus ,e or>ed out are consant "apour holdup2 constant condenser "apour load2 constant distillate rate2 constant re,oiler duty and cyclic operation. .*ter the steady state is o,tained the product is remo"ed at either "arying re*lu0 or constant re*lu0 at constant "apour ,oil up rate. 1he "arying re*lu0 indicates that the distillate is remo"ed at a constant rate and the constant re*lu0 indicates that the distillate is remo"ed at "arying rate until the re/uired purity is o,tained *or a time t. 1he li/uid rate depends on the distillate and re*lu0 rates. ?r the operation can also ,e carried out at "arying re4,oiler heat duty either decreasing or increasing the heat supplied to the re4 ,oiler hile maintaining constant re*lu0 and constant distillate rate. 1he calculation procedures o* the "arious possi,le models are as *ollo sF 1he num,er o* the $.;s ill depend on the type o* column and the type o* the model. Component mole ,alances at "arious stages areF CondensorF d0i205dt 9 4 BP0:$:6dM05dt85M0C 0i20 : B%1Qi215M0C 0i212 Stage +F d0i2+5dt 9 BP+415M+C 0i2+41 4 BP+:Qi2+%+:6dM+5dt85M+C 0i2+ : BQi2+:1%+:15M+C 0i2+:12 i 9 1 to C2 + 9 1 to 3 6&.28
2A

i 9 1 to C

6&.18

Re,oilerF d0i23:15dt 9 6P35M3:18 0i23 = B%3:1Q3:1 : 6dM3:15dt85M3:1C 0i23:1 i 9 1 to C 6&.38

7ith one o* the approaches2 considering constant molar hold up2 dM+5dt can ,e considered Vero at any stage and thus the e/uations reduce to sol"a,le *orm and the change in the mole*ractions are calculated .r.t time. 7ith the second approach considering the constant rate o* change in the hold up2 the e/uation reduces to sol"a,le *orm. In this case considering the total mole ,alance o"er any stage yields2 dM+5dt 9 %+:1 : P+41 = %+ 4 P+ 6&.48

1hus su,stituting e/uation 6&.48 ith the respecti"e "alues2 all the a,o"e e/uations con"erges to sol"a,le *orm. 1hus *or each time inter"al all the stage calculations are per*ormed and "alues ta,ulated.

Algorithm for ,igoro%s Model for Batch Distillation 7or>ing ith Constant distillate molar *lo rates and constant change in the rate o* molar li/uid holdup. 18 ;sta,lish total re*lu0 conditions ,ased on li/uid and "apor molar *lo rates %+0 and P+0. %03:1 is the desired ,oil up rate. P00 9 $6R : 18. 28 Maintaining o* the constant "apour ,oil up rate2 as during the total re*lu02 is o,tained ,y replacing P00 ,y P00 = $ as $ moles o* distillate is dra n out. So2 at t 9 02 charge is >no n2 H3:12i2 column pressure2 re*lu0 ratio2 distillate molar *lo rate2 condenser molar hold up. 38 Calculate ,u,,le point temperature to compute Qi "alues *or computing yi "alues *or the "apor in e/uili,rium ith the charge in the still. Compute the ,u,,le point compositions *or each stage. 48 Replace hold up deri"ati"es ,y total material ,alance e/uationsF
2-

dM+5dt 9 %+:1 : P+41 = %+ = P + . Sol"e *or Hi *or the ne time increments using the *ollo ing e/uations. a8 'or the re,oiler2 Hi3:1Q:1 9 Hi3:1Q = 6P35M3:18 Hi3 = B6%3:1Qi23:1: P34 %3:185M3:1C Et ,8 'or the o"erhead condensing system2 Hi20Q:1 9 Hi20Q : BB6P0 : $ : %14 P0 = $85M0CHi20Q : B%1Qi215M0CHi21QCC Et. So2 Hi20Q:1 9 Hi20Q : BB%15M0CHi20Q : B%1Qi215M0CHi21QCC Et c8 'or the column stages2 Hi2+Q:1 9 Hi2+Q :BB6P+415M+8Hi2+41QC 4 B6P+ : Qi2+%+ : %+:1:P+414%+4P+85M+CHi2+Q : B%+:1Qi2+:15M+CHi2+:1QCC Et So2 Hi2+Q:1 9 Hi2+Q :BB6P+415M+8Hi2+41QC 4 B6Qi2+%+ : %+:1:P+414%+85M+CHi2+Q : B%+:1Qi2+:15M+CHi2+:1QCC Et 58 Compute li/uid densities and li/uid holdups and li/uid and "apor enthalpies. M0 9 (0X0R M + 9 (+ X + A8 Compute a ne set o* li/uid and "apor molar *lo rates *rom e/uations %1 9 $6R:18 : dM05dt P+ 9 %+:1 : P+41 = %+ = dM+5dt %+:1 9 156h"+:1 = hP+8 B%+6h%+ = hP+8 = P+416hP+41 = hP+8 : M+ dhP+5dtC + 9 1 to 3. -8 Compute the ne re,oiler molar hold up *rom Mn:1 9 M3:10 = +9oI3 M+ = 0<t $dt. 88 Compute condenser and re,oiler heat trans*er rates *rom S0 9 %1 6h%14 hP08 = M0 dhP05dt S3:1 9 %3:1 6h%3:1 = hP3:18 = P3 6hP3 = hP3:18 : M3:1 6dhP3:15dt8 Repeat steps 3 through 8 *or additional time steps until the speci*ied operation is complete.

28

6low (hart
Read Initial Charge2 'eed composition2 Hi2 Molar )old ups *or Condenser2 internal plates and re,oiler. $etermine time step Et Speci*y operation time 1 Calculate Re*lu02 distillate and "apor *lo rates. Q 9 02 t 9 0

!pdate HiQ "alues to HiQ:1 using numerical integration e/uations mentioned

-olve the system of DA.s %sing a n%merical integration techni3%e for the OD.. 18 $etermine #u,,le point compositions2 yi2 using thermodynamic models. $o a tray ,y tray composition using this techni/ue 28 $etermine Molar hold ups in the condenser system and column stages ,ased on constant "olume hold ups. 38 Calculate li/uid and "apor enthalpies 48 Compute li/uid and "apor molar *lo rates 58 $etermine %ariation o* molar hold up in the re,oiler A8 Mrint computed resu. n

3?

Q 9 Q : 1 O 1 5 Et

K;S

;3$

2&