MODELLING AND SIMULATION OF STRUCTURED PACKING COLUMN

DISTILLATION

Ana Maria Barreiros, Gabriela Bernardo-Gil

Dep. de Eng. Química - IST - Av. Rovisco Pais, 1096 Lisboa
Manuel Menezes de Sequeira, João Miranda Lemos
INESC - Rua Alves Redol 9, 1000 Lisboa

Abstract

The modelling and simulation of distillation columns is mainly applied to plate

columns and less to random packing columns.
In order to increase the mass transfer efficiency, and simultaneously to decrease the
pressure drop, structured packings are being more and more used, although full models that
include all the problems associated with these packing can not be found in the literature.
A complete model for a distillation column using the Sulzer CY structured packing
was developed. This packing, according to the manufacturer, allies the advantage of a low
HETP (Height Equivalent to Theoretical Plate) with a low pressure drop, making it very
adequate for units operations that need a high number of transfer units.
The model developed consists of a system of partial differential equations, whose
resolution can be based on the orthogonal collocation method which converts the initial
system into system of ordinary differential equation, which in turn can be solved by a third
order semi-implicit Runge-Kutta method.
The validation of the model developed was made in a semi-pilot plant using the system
alpha-pinene + beta-pinene at 80 kPa.
The number of theoretical plates was computed by the Bravo, Rocha and Fair
model [1].

Introduction

Modelling and simulation of distillation columns mainly of plate columns and less of
random packing columns are referred in literature [2, 3, 4, 5].
In order to increase the mass transfer efficiency, and simultaneously decrease the
pressure drop, Stedman developed structured packing, but the credit for modern geometries
must go to Sulzer Brothers in Switzerland.
The advantages of structured packing have led to an increasing use in industry but,
though there has been a continuous development of dynamical model of distillation
columns, mainly fast and approximate, for use in process control tasks, the literature lacks
complete models of packed distillation columns.

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 Development of the model

The model consists of:

• A set of partial differential equations (obtained from mass and energy balances in an
infinitesimal element of packing);
• A set of algebraic relations (used to predict the physical properties, density and
viscosity, and some parameters which are very important in characterizing the
column operation, interfacial area between liquid and vapor, mass transfer
coefficients, holdups and dispersion coefficient;
• A set of differential equation (obtained from boundary conditions)
• The equilibrium relation between the vapor and the liquid phases.
Each section of the packing is considered to hold tree phases: the dynamic liquid and
vapor phases and a third phase of stagnant liquid which can interact solely with the dynamic
liquid.
In the derivation of the model the following assumption were made:
- Axial dispersion is accounted for using the axial dispersion coefficient;
- Radial dispersion is accounted for using the radial dispersion coefficient;
- The holdup in condenser and reboiler are constant;
- Vapor-liquid mass transfer is governed by the two film theory;
- The vapor is ideal and the liquid is non-ideal, thus the equilibrium can be represented
by one activity coefficient predictive equation;
- Tower pressure drop is neglected.
- Constant holdup is assumed in the condenser and the reboiler mass balances. Axial
and radial dispertion are considered negligible.

Mass Balances

1) Vapor Balance

Partial balance

Global balance

2) Liquid Balance

Partial balance

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Global balance

3) Stagnant Liquid Balance

Global balance

Global balance

Where:

- Rate of accumulation of material in the vapor phase.

Bulk flow transport of vapor phase
Axial dispersion in vapor phase

• Radial dispersion in vapor phase

Heat loss due to vapor condensation

- Mass transfer through the vapor-liquid interface

• Mass transfer through the stagnant liquid - dynamic liquid interface

Energy Balances

1) Vapor Balance

2) Liquid Balance

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 Condenser and reboiler balances

1) Condenser balances (total condenser is considered)

2) Reboiler balances

Boundary Condition
The column has two discontinuities:
a) Condenser / packing
b) Packing / reboiler

a) - Condenser / packing ; z = N;

b) - Packing / Reboiler; z= 0;

Simplified Model

Simplified forms of the generalized model can be obtained by assuming that:

- Physical properties are constant;

- The radial dispersion coefficient is small in comparison with axial dispersion
coefficient;
- Liquid and vapor flows rates are constant;
- Saturated liquid and vapor strearns can be used (thus no heat balances are needed);
- There is no heat loss from the tower.

Due to these simplifications the model changes to:

Vapor balance

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 Liquid balance

The condenser and reboiler mass balances, and the boundary conditions are the same
used in the non-simplified model.
The solution of this resulting set of partial differential equations is difficult to obtain
analytically, except in very simple cases. However, numerical solution is possible by using
discretizing space and time.
Discretizing the space variable is achieved using the orthogonal collocation method
[6]. This method attempts to minimize the residual in the different equations at selected
points in the column - collocation points - by choosing the points to be the zeros of an
orthogonal polynomial.
Integration in the time domain was accomplished using a third order semi-implict
Runge-Kutta method.
The number of theoretical plates was computed by Bravo, Rocha and Fair model [1],
and the liquid holdup in each plates was computed dividing the total liquid holdup by the
number of theoretical plates. The total liquid holdup was calculated through the Bravo, Fair
and Rocha model [7].

Simulation
The simulation was done using a program developed by Sequeira [8]. The conditions
are presented in table 1.

Table 1. Simulation conditions

Theoretical plates = 41
Initial concentration
L (mole/min.) Holdup (mole) of the most volatile
component in the
reboiler
S1 0,170 0,0029 18
S2 0,170 0,0029 40
S3 0,170 0,0029 70
S4 0,170 0,0029 95

Figure 1 shows the simulated evolution of the concentration in the top plate for various
values of initial concentration of the most volatile compound in the reboiler, while keeping
constant the flows rate. The UNIQUAC and the UNIFAC equations were used to model the
non-ideality in liquid phase.
Figure 2 represents the evolution of temperature in the plates forthe S1 conditions,
using the UNIFAC model.

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Figure 1. Simulated evolution of the concentration in the top plate for various values of
initial concentration of the most volatile compound in the reboiler, while keeping constant
the flows rate _ S1 UNIFAC; _ S2 UNIFAC; : S3 UNIFAC; — S4 UNIFAC;
+ S1 UNIQUAC; * S2 UNIQUAC; ° S3 UNIQUAC; x S4 UNIQUAC.

Figure 2. Evolution of temperature in me plates for the S1 conditions using the

UNIFAC model.

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 Validation and conclusion

The validation of the model was made in a semi-pilot plant using the system alpha-pinene
+ beta-pinene at 80 KPa. The column used is 2m high, has a diameter of 3 cm and was filled
with Sulzer CY packing.
The results show mat only a qualitative comparison is possible.
In fact, a quantitative comparison is not possible because:
- The program used in the simulation did not consider the column hearing period;
- The most volatile element is present only in the reboiler;
- To calculate the liquid holdup in the column, average physical property estimates
were done;
- The number of theoretical plates is the average of the calculated values for each of
the different purities obtained in the experimental work, and the variation of the
theoretical plates with flow was considered negligible;
- It was not possible to follow the concentration profile with time from empty column.
It was only possible to follow the concentration profiles after the steady state had
been achieved and a change in the flow rate was introduced.

When experimental and calculated values are qualitatively compared, one verifies, in
both cases, that:
- The steady state was achieved quickly;
- The separation increases when the flow rate is increased;
- The steady state was achieved more quickly when the initial concentration of the
most volatile component in the reboiler is increased.

Analysing the figure 1, it can be concluded that UNIQUAC and UNIFAC models lead
to almost the same results.

Nomenclature

a - vapor-liquid interfacial area, cm cm

2 3

C - Total molar concentration, mol cm -3

D - Dispersion coefficient, cm s -1
2

h - Holdup cm cm-
3 3

H - Enthalpy cal mol- 1

k - Global vapor - liquid mass transfer coefficient, mol s-1

v

L - Liquid flow rate, mol s-1

Q - Heat loss per unit of column height cal s -1 cm-1
p

t - Time, s
T - Temperature, K
U - Global Heat Transfer Coefficient, cal s - K - 1 1

V - Vapor flow rate, mol s -1

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 x - Mole fraction in liquid phase
y - Mole fraction in vapor phase
z - Distance from top of packing, cm

Subscripts

v - vapor
l - liquid
i - component

s - stagnad

Acknowledgments

The authors are grateful to JNICT, INESC and PEDIP for financial support-

References

[1] Bravo, J. L., Rocha, J. A. and Fair, J. R., Hydrocarbon Processing, 64(1), 91, 1985.
[2] Prett, D. M., Ph.D. Thesis, University of Maryland, (1976)
[3] Sahromi, M. Fellah, et al., Chem. Engi. J. 25, 125, (1982)
[4] Aly, J. et al.; Entropie 136, 47, (1987)
[5] Srivastava, R. K., Joseph, B. Comp. Chem. Eng. 8, 43, (1984)
[6] Villandsen, J. V. and Michelsen, M. L., "Solution of differential equation by Polynomial
Approximation", Prentice Hall (1978)
[7] Bravo, J. L.; Fair, J. R.; Rocha, J. A.; Hydrocarb. Proc. 65, 45, (1986)
[8] Sequeira, M. M., "Simulação de Colunas de Destilação", INESC (1991)

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