18

Calculations of Multicomponent Distillation Column

with Multi-Feeds and Side-Streams*
by Takeshi Ishikawa** and Mitsuho Hirata**

Summary: A new method is developedfor calculationsof the multicomponentdistillation

in complexcolumnhaving any number of feeds and multi-side streams. This methodemploys
the group relaxation algorithmfor the solution of the non-linear material balance equationsat
unsteadystate conditionaround each stage in the column. The non-linearmaterial balance equ-
ations are solvedsimultaneously for each component,therefore,no matchingis required.
The methodmay will be applied to either ideal systemor nonidealsystemmulticomponent
distillationto calculatethe product distributionand the compositionand temperatureprofilesin the
complexcolumn,when one specifiesthe columnpressure,the numberof plates, the rate, composition
and thermalconditionof eachfeed as well as the locationsof thefeeds plate and the side-streams.
The methodmay be started with the assumptiononly that all the liquid compositionson
each stage equal to the overallfeed compositions.
Therefore,a great deal of experienceand judgment in choosinginitial values are unnecessary.
And also both distributedand non-distributedcomponentsare handled with equal case.
The computationalprocedureis simple, and numericallystable. Someproblems were dis-
cussed to demonstratethe feasibility of the method.

developed by Wang and Henke7) may be applied

1 Introduction to both conventional and complex columns.
The calculation of multicomponent separation This computational procedure is simple, fast
in complex column such as multi-feeds and multi- and numerically stable. For handling nonideal
side streams fractionators has become more and system that vapor-liquid equilibrium ratio
more important in the modern process design. depends on pressure, temperature and liquid
In the recent year, not only in separations of compositions, however, the procedure becomes
crude oil, but also in non-ideal system, namely, considerably complex.
separations in alcohol industries, rigorous calcu- In the previous paper8), we developed a new
lation of multicomponent separation in complex method for calculations of the multicomponent
column with multi-feeds and multi-side streams distillation. This method employs the group
has been specially required in order to draw relaxation algorithm for the solution of the non-
very small quantities of a component continuously. linear material balance equations at unsteady
For conventional column having a feed, many
state condition around each stage in the column.
computational procedures were developed1)∼4).
In this paper, this computational procedure
But there are only a few methods for complex
is developed for calculations of the multicompo-
column5)∼7). Holland and coworkers4) developed
nent distillation in complex column having any
a "θ-method" to couple with the method of
number of feeds and multi-side streams. In
Thiele and Geddes for handling both conventi-
this method, the non-linear material balance
onal and complex columns. This method is
equations are solved simultaneously for each
very usefull for conventional column, but for
component, therefore, no matching is re-
calculations of complex columns with multi-
feeds and multi-side streams is numerically quired.

unstable and thus basically unsuited. On the The method may well be applied to either
ideal system or nonideal systems for calculating
other hand, the tridiagonal matrix method
the product distribution and the composition
* Received December 22 , 1971
and temperature profiles in the complex column,
** Department of Industrial Chemistry
E , Faculty of
ngineering, Tokyo Metropolitan University (2-1-1, when the column pressure, the number of plates,
Fukazawa, Setagaya-ku, Tokyo, Japan) the rate, composition and thermal condition of

Bulletin of The Japan Petroleum Institute

 Calculations of Multicomponent Distillation Column with. Multi-Feeds and Side-Streams 19

each feed as well as the locations of the feeds and vapor side stream Svj, and one liquid side stream
the side-streams are specified. SLj exist at each stage except for the condenser
The method may be started with the assump- and the reboiler.
tion only that all the liquid compositions on each This model column can be reduced to any
stage, including a condenser and a reboiler, equal simpler one by setting the undesired quantities
to the over all feed compositions. Therefore, to zero. Thus, for a conventional column all
a great deal of experience and judgment in choos- the quantities of the external streams except
ing initial values are not necessary. As no Ff, D, and W are zero.
matching is required, both distributed and non- Each stage in the model column is assumed
distributed components are handled with equal to be an equilibrium stage, that is, the com-
case. The computational procedure is simple position of liquid on a stage identical with that of
and numerically stable. Some problems were liquid leaving the stage and the vapor stream
discussed to demonstrate the feasibility of the leaving the stage is in equilibrium with the liquid
method. stream leaving the same stage.
Fig. 2 shows such an ideal equilibrium stage
2 Mathematical Model except for the condenser and the reboiler.
For the convenience of deriving the general 2.1 Derivation of Basic Equations
working equations, a hypothetical system as For the time period or interval from t to t+
shown in Fig. 1 is considered as the model column .It, the component-material balance on the jth
with any number of feeds and multi-side streams. stage, except for the condenser and the reboiler,
This column has n equilibrium plates, and has a as shown in Fig. 2 is given the integral-difference
condenser (partial or total) at the top and a equation With the law of conservation of mass.
reboiler at the bottom. t+Δt

[(FjZFij+Vj+1yij+1+Lj-1xij-1)
The stages are numbered from top to bottom ∫ ｔ

with the condenser as the zeroth stage and the -{(Vj+Svj)yij+(Lj+SLj)xij]dt

reboiler as the n+1th stage. =[HjLxij]t+Δt-[HjLxijt (1)
It is assumed that one feed stream Fj, one where j refers to the stage number and i refers
to the component number. HLj refers to the
total moles of the liquid holdup on the jth stage
and V and L refer to the vapor and liquid flow
rates, respectively.
The vapor holdup, Hvj, in Fig. 2 is neglected
in the material balance because it is usually
small relative to the liquid holdup.
By use of the mean value theorem of integral
and differential calculus, the left-hand and right-
hand sides of Eq. (1) may be stated in the fol-
lowing forms, respectively.
t+Δt

[(FjZFij+Vj+1yij+1+Lj-1xij-1)
∫ t

-{(Vj+Svj)yij+(Lj+SLj)xij]dt
=[(FjZFij+Vj+1yij+1+Lj-1xij-1)

-{(Vj+Svj)yij+(Lj+SLj)xij]dt (2)

Fig. 1 A Model for the Complex Column Fig. 2 An Ideal Equilibrium Stage

Volume 14, No . 1, May 1972

 20 Ishikawa and Hirata: Calculations of Multicomponent

xijκ+1=xijκ+ωijκ[FjZFij+Vj+1yij+1κ

+Lj-1xij-1κ+1-(Vj+Svj)yijκ
-(Lj+SLj)xijκ] (10)

Substituting of Eqs. (2) and (3) into Eq. (1) where ωij, is the group relaxation factor and

and it is assumed that the liquid holdup on each varies in value with respect to component, stage,
stage remained constant with respect to time and and iteration. This equation is basic one for
also that is considered independent of composition. the arbitrary stage except for the condenser and
Furthermore, by taking the limit of each term the reboiler.
as Δt approches zero, the following differential For the condenser and the reboiler, similarly,
material balance for component i on jth stage the following equations are derived, respectively
leads to xi0κ+1=xi0κ+ωi0κ[V0yi0κ-L0xi0κ-DxDiκ] (11)

xin+1κ+1=xin+1κ+ωin=1κ[Lnxinκ+1

-Vn+1yin+1κ-Wxwiκ (12)

-{(Vj+Svj)yij+(Lj+SLj)xij}]t (4)
If the equilibrium ratio and the liquid and vapor
For the condenser and the reboiler, similar flow rates are assumed constant from iteration
but slightly different equations can be written (κ) to (κ+1), when the liquid composition and
as follows, respectively. flow rates at any iteration(κ)are known, by use

of Eqs. (10) to (12) the compositions at iteration

(k+1) may be calculated,and the processre-
peated to obtain values for iteration(k+2), and
so on. In this calculations, the values of vapor
compositions, yij, are obtained from the cor-
responding values of the liquid compositions,
If all the compositions and the flow rates at
xij, by use of the vapor-liquid equilibrium re-
time t are known, it is then possible to calculate
lation.
all the concentration gradients, dxij/dt. How-
ever, an implicit form of the finite difference
3 Method of Computations
approximation for the differential equation is
Assuming constant molal overflow and that
the liquid holdup is equal for all the stages of
the column, the vapor and liquid flow rates in
For the convenience of the calculations, con- each stage of the column are given by the fol-
sider time t to be iteration κ and t+Δt to be lowing equations
iterationk+1. A combination of Eqs. (4) and
(7) leads to,
xijκ+1=xijκ+μj[(FjZFij+Vj+1yij+1+Lj-1xij-1)
-{(Vj+Svj)yij+(Lj+SLj)xij}]κ (8)

where μj is the point relaxation factor and is where R is reflux ratio.

equal to (Δt/HLj)・ One specifies the column pressure, the number
Furthermore, when the calculation is begun of plates, the rate, composition and thermal
at the top of the column and proceeded down- condition of each feed as well as the locations
ward, instead of xij -1κ in Eq. (8), the values of
of the feeds plates and the side-streams. The
the liquid compositions of the above stage calcu- number of additional specifications which may
lated at (κ+1) th iteration, that is, xij-1κ+1 were be made is equal to the total number of streams
used as the compositions of the j-1th stage. withdrawn (the distillate, bottoms and side-
Consequently, Eq. (8) may be written as fol- streams). For the column containing two liquid
lows9). side-streams and two vapor side-streams, the
additional specifications R, D, SL1, SL2, Sv1 and
xijκ+1=xijκ+μj[FjZFij+Vj+1yij+1κ+Lj-1xij-1κ+1

-{(Vj+Svj)yijκ-(Lj+SLj)xijκ] (9)
Sv2 may be made. These in turn fix the de-
pendent variable W.
And also by use of the group relaxation algori- In order to make the first trial, temperature
thm8), Eq. (9) becomes and liquid compositions for all the stages of the
Bulletin of The Japan Petroleum Institute
Distillation Column with Multi-Feeds and Side-Streams 21

column, and also group relaxation factor for obtained. If they are not satisfied, go to step 7.
each components are assumed. The calcu- Step 7 Calculate the following convergence
lations may be started with all plate composi- criteria,
tions equal to the overall feed composition, but
any other starting compositions may be used,
and started with group relaxation factors equal
to the reciprocal number of two to five times,
to avoid distortions and instability in the calcu-
lations, the summation of amounts of feeds per
where ξi shows how much the material balance
unit time.
of component i is satisfied. The value of ξi
Use of the basic equations once for each stage
differs largely in each component. Therefore,
gives a new set of liquid compositions on each
correction factor for group relaxation factor of
stage of the column slightly different from those
each component is calculated by the following
at the start. Repetition of this kind of calcu-
equation.
lation gives one set after another of liquid com-
positions, which gradually approach the steady
state compositions. In general, most of the
compositions change rapidly at first and then where ξκ is the smallest value of ξi.

gradually approach steady state values. And It is obvious that the larger is the value of ψi,

also the rate of covergence depends considerably the less the satisfaction of material balance of
on the group relaxation factor assumed and component i. The values of ψi are separated
differs from another components. into three groups in order of its value, and each
Accordingly, in order to increase the rate of
group has one constant δ.
convergence the group relaxation factors are The value of each δ must be determined taking
corrected8). it into consideration that the group relaxation
When the compositions no longer change factor ωij should increase and that at the same
from one trial to the next and the component time the divergence and instability should be
material balances are satisfied, steady state solu- avoided as much as posible.
tion is obtained to the paticular continuous distil- The new factor ωij+1 is obtained by multi-
lation problem under consideration.
plying ωijκ by δ. The values of δ are finally
The steady state solution is independent of determined as follows after the experience of a
starting compositions and relaxation factor (cor- large number of trials, that is,
responding to liquid holdup), but if the real
when 0≦ψi≦0.4 δ=1.0
starting composition, holdup, and corresponding
when 0.4≦ψi≦0.7 δ=1.1
flow rates and time lags are used, the calculations
when 0.7ψi≦1.0 δ=1.2
describe the approach to steady state .
Using the new group relaxation factor, repeat
4 Computational Procedure step 3 through step 7 until the desired accuracy
is obtained.
Computational procedure may be written as
follows;
Step 1 Calculate the vapor and liquid flow 5 Numerical Examples

rates of each stage by use of Eqs. (13) and (14) . This method has been programed for a
Step 2 Assume temperature, liquid compositions FACOM 270-30 digital computer at Computer
and group relaxation factors . Center of Tokyo Metropolitan University, and
Step 3 Evaluate vapor compositions
, yijκ, that
many test problems have been successfully solved
is in equilibrium with the liquid compositions without relying on special experiences and senses .
,
xijκ ・ The convergence criteria used for these problems
Step 4 Solve the material balance equation for were;
xijκ+1 by using the group relaxation algorithm .
Step 5 Normalize the liquid compositions .
Step 6 If the convergence criteria , Eqs. (16)
and (17) are satisfied , a convergent solution is
Volume 14, No. 1, May 1972
22 Ishikawa and Hirata: Calculations of Multicomponent

Table 1 Final Results for Example 1

Iteration Number 1226 Where Z-E Refers to Z×10-E

Bulletin of The Japan Petroleum Institute

 23
Distillation Column with Multi-Feeds and Side-Streams

where ε1i and ε2 are a tolerance error, respectively.

The computer running time for the method is

proportional to the number of components and

the number of stages in the column, regardless
of the number of feed streams and the number of
side-streams. For the problems tested, the com-
puting time was about 0.001 seconds per compo-
nent per stage per iteration.
As illustrative examples for the proposed
method, the calculations of multicomponent
distillation column with multi-feeds and side-
streams are performed in three situations; the
first is the case in which vapor-liquid equilibrium
ratio is a function of liquid composition only.
The second is the case in which the ratio is a
function of temperature and pressure, and the
third is the case in which the activity coefficient
is used to calculate the vapor-liquid equilibrium.
Example 1: A complex column with two feeds
and three liquid side-streams is considered. A
mixture of five components is to be separated at
1atm. The column has 27 equilibrium stages,
including a total condenser and a reboiler. The Fig. 3 Liquid Composition Profile of Example 1

first feed consisting of 1.0 moles of saturated

vapor (q=0) is fed to the 10th plate, which has positions for all the stages of the column, when
the composition: C1, 0.50; C2, 0.20; C3, 0.15; ε1i=10-4 and ε2=10-6, a steady-state solution

C4, 0.10; and C5, 0.05. The second feed of 1.0 was obtained in 1226 iterations. In this case,
moles of saturated liquid (q=1.0) entered at the the computing running time, including the print-
16th plate, which has the composition: C1, out of input data and detailed results of the final
0.05; C2, 0.10; C3, 0.15; C4, 0.20 and C5, 0.50. iteration, was about 200 seconds.
Each liquid side-stream of 0.4 moles is to be drawn Table 1 and Fig. 3 show the liquid and vapor
from the 5th, 13th and 20th plate. Relative composition profile calculated.
volatility of each component gives hypothetically Example 2: A complex column with two feeds
as follows; α15, 10.0; α25, 7.0; α35, 5.0; α45, 3.0; and two side-streams is considered. The mixture
and α55, 1.0. Two other conditions specified consisting of benzene(1), toluene(2), m-xylene(3),
are the distillate D=0.4 moles and the reflux ethylbenzene(4), and cumene(5) is to be separated
ratio R=10.0. at atmospheric pressure. The column has 27
By assuming that initial group relaxation fac- equilibrium stages, including a total condenser
tors equal to the reciprocal number of five times, and a reboiler. The first feed consisting of 1.0
that is, 0.1 and starting with using over all feed moles of saturated vapor is fed to the 12th plate.
compositions as initial values of the liquid com- The second feed of 1.0 moles of saturated liquid

Table 2 Feed Conditions and the Physical Data Used for Example 2

Volume 14, No . 1, May 1972

24 Ishikawa and Hirata: Calculations of Multicomponent

entered at the 20th plate. From the 7th and obtained. The reflux rate is 3.0 moles ,(R=5.0).
16th plate, liquid side-streams of each 0.2 moles The group relaxation factors are taken as 0.1
are to be drawn continuously. mole-1. Starting with using overall feed com-
Feeds compositions and the physical data are positions as initial values of the liquid com-
summarized in Table 2. positions on each stage, a steady state solution
Products of 0.6 moles of liquid from total
condenser and 1.0 moles of bottoms are to be

Fig. 4 Temperature Profile for Example 2 Fig. 5 Liquid Composition Profile of Example 2

Table 3 Results of Example 2

Iteration Number 1200 Where Z-E Refers to Z×10-E

Bulletin of The Japan Petroleum Institute

Distillation Column with Multi-Feeds and Side-Streams 25

Table 4 Results of Example 3

Iteration Number 629 Where Z-E Refers to Z×10-E

was obtained in 1,200 iterations. Table 3 and The calculation is started with liquid of feed
Figs. 4 and 5 give the computational results of composition on each plate and in the condenser
this example. As shown in Figs. 4 and 5, the and the reboiler. When ε1i=10-3 and ε2=10-6,

result obtained at the end of the 1,000th iteration a steady state solution was obtained in 629
is close to the final solution and could be con- iterations. Table 4 gives the final profile of
sidered sufficiently accurate in practical use. liquid composition and temperature only. The
In this problem, when ε1i=10-4 andε2=10-8 computing running time required for this solu-
the computing running time was about 300 tion, including the printout of input data and
seconds, and also when ε1i=10-3 and ε2=10-6, detailed results of the final iteration, was about
that was about 200 seconds. 240 seconds.
Example 3: Lastly, a complex distillation
column with a feed and two liquid sidestreams is 6 Conclusion
considered. The column is operated at 1atm The new method for the calculations of the
and the nonideal mixture consisting of methanol multicomponent distillation column with multi-
(1), ethanol(2), water(3), and propanol(4) is feeds and multi-sidestreams has been developed.
to be separated. The column has 22 equili- This method employs the group relaxation
brium stages, including a total condenser and a method for the solution of the non-linear material
reboiler. balance equations. The non-linear equations
One mole of feed has the composition; metha- are solved simultaneously for each component,
nol, 0.3; ethanol, 0.2; water, 0.2; and propanol, therefore, no matching is required.
0.3. The feed of saturated liquid is entered at Availability of the method was demonstrated
the 10th plate numbered from top . The liquid by three numerical examples of different case.
sidestreams of each 0.2 moles are to be drawn As a result of calculations, it is confirmed that
from the 5th plate and 15th plate . this method may be well applied to either ideal
The physical data used in this problem are system or nonideal system, and also the choice
given in Reference11). As the activity coeffici- of successive trial values is very simple and
ents-composition equation , Wilson equation was special consideration for very small quantities
used and Cox-Antoine equation was also used of a component involved product streams
to calculate vapor pressure of pure components . (distillate, bottoms, and side-streams) are not
Two other conditions specified are the distillate necessary. The method converges more stably
rate D=0 .3 moles and the reflux ratio R=10.0. and relatively rapidly.
The group relaxation factor is taken as 0 .2.

Volume 14, No . 1, May 1972

26 Calculations of Multicomponent Distillation Column with Multi-Feeds and Side-Streams

Nomenclature ψ): Correction factor of relaxation factor

α: Relative volatility
Ai, Bi, Ci: Cox-Antoine's constants
D: Distillate product, moles
Fj: Feed stream at stage j, moles Literature Cited
HjV: Vapor holdup on stage j, moles
HjL: Liquid holdup on stage, j, mole 1) Lewis,
24 W. K., Matheson, G. L., Ind. Eng. Chem. ,
, 496 (1932).
2) Thiele, E. W., Geddes, R. L., ibid., 25, 290 (1933).
3) Holland,
(1963) P C. D., "Multicomponent Distillation" ,
rentice Hall, Englewood Cliffs, N. J.
4) Lyster, W. N., Sullivan, Jr., S. L., Billingsley, D. S.,
Holland, C. D., Petrol. Refiner., 38, (6), 221; (7)
151; (10), 139 (1959).
5) Amundson,
50 N. R., Potinen, A. J., Ind. Eng. Chem.,
, 730 (1958).
6) Rose,
737 A., Sweeny, R. F., Schrodt, V. N., ibid., 50,
(1958).
7) Wang, J. C., Henke, G. E., Hydrocarbon Process-
ing, 45, 155 (1966).
8) Ishikawa, T., Hirata, M., contributed to Soc.
Chemical Engineer of Japan.
9) Ishikawa, T., Hirata, M., contributed to Soc.
Chemical Engineer of Japan.
10) Dreisbach, R. R., "Physical Properties of Chemical
μ: Point relaxation factor Compounds", 1-111 (1961) Amercian Chemical
ω: Group relaxation factor Society, Washington, D. C.
Δ
: Increment 11) Hirose, Y., Hiraiwa, H., Kagaku Kogaku, 33, 998
ε: Tolerance errors (1968).

Bulletin of The Japan Petroleum Institute