SCH1301 - COMPUTATIONAL METHODS IN CHEMICAL ENGINEERING UNIT-II

UNIT II: FORMULATION OF PHYSICAL PROBLEMS

2.1 INTRODUCTION

The two main variables in an experiment are the independent and dependent variable.

An independent variable is the variable that is changed or controlled in a scientific experiment

to test the effects on the dependent variable.

A dependent variable is the variable being tested and measured in a scientific experiment.

The dependent variable is 'dependent' on the independent variable. As the experimenter changes
the independent variable, the effect on the dependent variable is observed and recorded.

For example, a scientist wants to see if the brightness of light has any effect on a moth being
attracted to the light. The brightness of the light is controlled by the scientist. This would be the
independent variable. How the moth reacts to the different light levels (distance to light
source) would be the dependent variable.

When results are plotted in graphs, the convention is to use the independent variable as the x-axis
and the dependent variable as the y-axis.

2.1.1 INDEPENDENT VARIABLE EXAMPLES

 A scientist is testing the effect of light and dark on the behavior of moths by turning a
light on and off. The independent variable is the amount of light and the moth's reaction
is the dependent variable.
 In a study to determine the effect of temperature on plant pigmentation, the independent
variable (cause) is the temperature, while the amount of pigment or color is the dependent
variable (the effect).

2.1.2 DEPENDENT VARIABLE EXAMPLES

 A scientist is testing the effect of light and dark on the behavior of moths by turning a
light on and off. The independent variable is the amount of light and the moth's reaction
is the dependent variable. A change in the independent variable (amount of light) directly
causes a change in the dependent variable (moth behavior).

 You are interested in learning which kind of chicken produces the largest eggs. The size
of the eggs depends on the breed of chicken, so breed is the independent variable and egg
size is the dependent variable.

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2.2 PRINCIPLES OF FORMULATION

A. BASIS. The bases for mathematical models are the fundamental physical and chemical laws,
such as the laws of conservation of mass, energy, and momentum.

B. ASSUMPTIONS. Probably the most vital role that the engineer plays in modeling is in
exercising his engineering judgment as to what assumptions can be validly made. The
assumptions that are made should be carefully considered and listed. They impose limitations on
the model that should always be kept in mind when evaluating its predicted results.

C. MATHEMATICAL CONSISTENCY OF MODEL. Once all the equations of the

mathematical model have been written, it is usually a good idea, particularly with big, complex
systems of equations, to make sure that the number of variables equals the number of equations.
The so-called “degrees of freedom” of the system must be zero in order to obtain a solution.
Checking to see that the units of all terms in all equations are consistent is perhaps another trivial
and obvious step, but one that is often forgotten. It is essential to be particularly careful of the
time units of parameters in dynamic models. Any units can be used (seconds, minutes, hours,
etc.), but they cannot be
mixed.

D. SOLUTION OF THE MODEL EQUATIONS.

the available solution techniques and tools must be kept in mind as a mathematical model is
developed.
An equation without any way to solve it is not worth much.

E. VERIFICATION. An important but often neglected part of developing a mathematical

model is proving that the model describes the real-world situation. At the design stage this
sometimes cannot be done because the plant has not yet been built. However, even in this
situation there are usually either similar existing plants or a pilot plant from which some
experimental dynamic data can be obtained.

2.3 LIQUID-LIQUID EXTRACTION (LLX)

Extraction is a liquid-liquid operation. It is a process of transferring a solute from one liquid

phase to another immiscible or partially miscible liquid in contact with the first. The two phases
are chemically quite different, which leads to a separation of the components according to their
distribution or partition between the two phases, normally one organic and one water. This is
different from distillation, in which the liquid is partially vaporized to create another (vapor)
phase, but the two phases are similar chemically.

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2.3.1Single-Stage Equilibrium Extraction

In an extraction process we have two entering streams (L kg and V kg) which are NOT in
equilibrium, as shown in Below Fig. The solvent, as stream V2, enters and the stream L0 enters
from the other side. The two entering streams are mixed and equilibrated and then exit as streams
L1 and V1, which are in equilibrium with each other. To find the final product compositions in
the two phases, it is required to know the mixture total mass and composition (point M). This can
be obtained by material balances. After the point M is identified, the product composition
can be found by the equilibrium tie line.

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Fig :Single-stage Liquid-liquid extraction (a) process flow diagram, (b) phase diagram.

Since xA + xB + xC = 1 , an equation for B is not needed. because L0 and V2 are known, values
of M, xAM, and xCM, can be found from Eqs. (1) to (3). L1 and V1 are obtained by drawing a
tie line through point M.

Fig:Graphical addition and lever-arm rule: (a) process flow, (b) graphical addition.

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The left side is the slope of line LM and the right side is the slope of line MV. Because the two
slopes are the same and the two lines have a common point M, the three points L, M, and V
must be on a straight line. The lever-arm rule is

A countercurrent multistage process is shown in Fig. below

So the point M, which ties together the two entering streams (usually known) and the two exit
streams, can be located. The desired exit composition xAN is often set, which is on the
equilibrium curve (phase boundary). Then the line LNM is extended to intersect the phase
boundary of the extract phase to give V1 composition

2.4 RADIAL HEAT TRANSFER THROUGH A CYLINDRICAL CONDUCTOR

Chemical engineers encounter conduction in the cylindrical geometry when they analyze heat
loss through pipe walls, heat transfer in double-pipe or shell-and-tube heat exchangers, heat
transfer from nuclear fuel rods, and other similar situations. Unlike conduction in the rectangular
geometry that we have considered so far, the key difference is that the area for heat flow changes
from one radial location to another in the cylindrical geometry. This affects the temperature
profile in steady conduction. As an example, recall that the steady temperature profile for one-
dimensional conduction in a rectangular slab is a straight line, provided the thermal conductivity
is a constant. In the cylindrical geometry, we find the steady temperature profile to be

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logarithmic in the radial coordinate in an analogous situation. To see why, let us construct a
model of steady conduction in the radial direction through a cylindrical pipe wall when the inner
and outer surfaces are maintained at two different temperatures.

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2.5 SALT ACCUMULATION IN STIRRED TANK.

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4. A tank contains 1000 liters of brine with 15 kg of dissolved salt. Pure water enters the tank at a
rate of 10 liters/min. The solution is kept thoroughly mixed and drains from the tank at the same
rate. How much salt is in the tank
(a) after t minutes?
(b) after 20 minutes?

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5. A tank contains 1000 liters of pure water. Brine that contains 0.05 kg of salt per liter of water enters the
tank at a rate of 5 liters/min. Brine that contains 0.04 kg of salt per liter of water enters the tank at the rate
of 10 liters/min. The solution is kept thoroughly mixed and drains from the tank at 15 liters/min. How much
salt is left in the tank
(a) after t minutes?
(b) after 1 hour?

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6.Into a 2000 liter container is placed 1000 liters of a brine solution containing 40 kg of salt. A
brine solution containing .02 kg/l of salt ows into the container at a rate of 50 l/min. The solution
is kept thoroughly mixed, and the mixture ows out at a rate of 25 l/min. How much salt is in the
container at the moment it
overows?

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