Seminar1 - Non Isothermal CSTR

MATHEMATICAL
MODELS
OF
CHEMICAL
ENGINEERING
SYSTEMS
The concentration of reactant in the reactor is
with units of moles of A per unit volume. The overall reaction rate for the forward reaction is
The overall reaction rate for the reverse reaction is
With these fundamental relationships pinned down, we are ready to write the total and component continuity equations. Total continuity :
Component A continuity:
dt
The 2 in the reaction terms comes from the stoichiometric coefficient of A. There are five equations [Eqs. (3.14) through that make up the mathematical model of this system. The parameters that must be known are R, and The forcing functions (or inputs) could be and This leaves five unknowns (dependent variables): , P, F, and y. 3.6 NONISOTHERMAL CSTR In the reactors studied so far, we have shown the effects of variable holdups, variable densities, and higher-order kinetics on the total and component continuity equations. Energy equations were not needed because we assumed isothermal operations. Let us now consider a system in which temperature can change with time. An irreversible, exothermic reaction is carried out in a single perfectly mixed CSTR as shown in Fig. 3.3. A k
mol The reaction is nth-order in reactant A and has a heat of reaction of A reacted). Negligible heat losses and constant densities are assumed. To remove the heat of reaction, a cooling jacket surrounds the reactor. Cooling water is added to the jacket at a volumetric flow rate and with an
EXAMPLES
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MATHEMATICAL
MODELS
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CHEMICAL
ENGINEERING
SYSTEMS
F
I
T A B
FIGURE 3.3 Nonisothermal
CSTR.
inlet temperature of . The volume of water in the jacket is constant. The mass of the metal walls is assumed negligible so the thermal inertia of the metal need not be considered. This is often a fairly good assumption because the heat capacity of steel is only about 0.1 which is an order of magnitude less than that of water.
JACKET. We assume that the temperature e in the jacket is The heat transfer the process at rature T and the cooling water at temperature is described by an heat transfer coefficient.
A. PERFECTLY MIXED
Q=
where Q = heat transfer rate = overall heat transfer coefficient = heat transfer area vary with the in the reactor if In general the heat transfer area some area was not completely-d with reaction mass liquid at all times. The equations describing the system are: Reactor total continuity:
Reactor component A continuity :

dt
Reactor energy equation :

= (3.20)
MATHEMATICAL
MODELS
OF
CHEMICAL
ENGINEERING
SYSTEMS
Jacket energy equation :

= +
where
= density of cooling water = enthalpy of process liquid = enthalpy of cooling water
of constant densities makes and thalpies in the time derivatives to replace internal energies, A hydraulic- between reactor holdup and the flow out of the reactor is also needed. A level controller is assumed to change the outflow as the volume in the tank rises or falls: the higher the volume, the larger the outflow. The outflow is shut off completely when the volume drops to a minimum value
Vm i n
F =
(3.22)
The level controller is a proportional-only feedback controller. Finally, we need enthalpy data to relate the hs to compositions and temperatures. Let us assume the simple forms and where = heat capacity of the process liquid = heat capacity of the cooling water
(3.23)
Using Eqs. (3.23) and the Arrhenius relationship for k, the five equations that describe the process are
dt dt d t = FT) (3.24) (3.25) (3.26) (3.27) (3.28)
F=
Checking the degrees of freedom, we see that there are five equations and five unknowns: V, F, and We must have initial conditions for these five dependent variables. The forcing functions are , and . The parameters that must be known are a, R, p, C,, A,, V,, and If the heat transfer area varies with the reactor holdup it
EXAMPLES
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MATHEMATICAL
MODELS
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CHEMICAL
ENGINEERING
SYSTEMS
49
would be included as another variable, but we would also have another equation; the relationship between area and holdup. If the reactor is a flat-bottomed vertical cylinder with diameter and if the jacket is only around the outside, not around the bottom
(3.29)
We have assumed the overall heat transfer coefficient is constant. It may be a function of the coolant flow rate or the composition of the reaction mass, giving one more variable but also one more equation.
B. PLUG FLOW COOLING JACKET. In the model derived above, the cooling water inside the jacket was assumed to be perfectly mixed. In many jacketed vessels this is not a particularly good assumption. If the water flow rate is high enough so that the water temperature does not change much as it goes through the jacket, the mixing pattern makes little difference. However, if the water temperature rise is significant and if the flow is more like plug flow than a perfect mix (this would certainly be the case if a cooling coil is used inside the reactor instead may be used. of a jacket), then an average jacket temperature
=
(3.30)
where
is the outlet cooling-water temperature. The average temperature is used in the heat transfer equation and to represent the enthalpy of jacket material. Equation (3.27) becomes (3.31) Equation (3.31) is integrated to obtain at each instant in time, and Eq. (3.30) is used to calculate , also as a function of time.
C. JACKET MODEL. Another alternative is to up the jacket volume into a number of perfectly mixed lumps as shown in Fig. 3.4. An energy equation is needed for&lump. Assuming four lumps volume and heat transfer area, energy equations for the jacket: dt
= +
(3.32)
= +
dt
MATHEMATICAL
MODELS
OF
CHEMICAL
ENGINEERING
FIGURE 3.4 Lumped jacket model.
In some reactors, particularly D. METAL m-pressure or smaller-scale the mass of the metal walls and be considered. To be rigorous, the its effects on the thermal dynamics energy equation for the wall be a partial differential equation in time and radial position. A less rinorous but frequently used approximation is to the mass of the metal and assume the metal is all at one temperature This assumption is a fairly one when the wall is not too the thermal conductivity of the metal is large. Then effective and film coefficients and are used as in Fig. 3.5. The three energy equations for the process are:
at =
FT) (3.33)
where
inside heat transfer film coefficient = outside heat transfer film coefficient
FIGURE 3.5 metal model.
EXAMPLES
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MATHEMATICAL
MODELS
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CHEMICAL
ENGINEERING
SYSTEMS
= density of metal wall = heat capacity of metal wall = volume of metal wall = inside heat transfer area A, = outside heat transfer area
3.7 SINGLE-COMPONENT VAPORIZER

systems represent some of the most interesting and important operations in chemical engineering processing and are among the most to model. To describe these systems rigorously, conservation equations must be written for both the vapor and liquid phases. The basic problem is finding the rate of vaporization of material from the liquid phase into the vapor phase. The equations used to describe the boiling rate should be physically reasonable and mathematically convenient for solution. Consider the vaporizer sketched in Fig. 3.6. Liquefied petroleum gas (LPG) is fed into a pressurized tank to hold the liquid level in the tank. We will assume that LPG is a pure component: propane. Vaporization of mixtures of components is discussed in Sec. 3.8. The liquid in the tank is assumed perfectly mixed. Heat is added at a rate Q to hold the desired pressure in the tank by vaporizing the liquid at a rate (mass per time). Heat losses and the mass of the tank walls are assumed negligible. Gas is drawn off the top of the tank at a volumetric flow rate is the forcing function or load disturbance.
A. STEADYSTATE MODEL. The simplest model would neglect the dynamics of both vapor and liquid phases and relate the gas rate to the heat input by
=Q
where = enthalpy of vapor leaving tank = enthalpy of liquid feed or or
(3.34)
FIGURE 3.6 vaporizer.

Seminar1 - Non Isothermal CSTR

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MATHEMATICAL

The concentration of reactant in the reactor is

The overall reaction rate for the reverse reaction is

FIGURE 3.3 Nonisothermal

Reactor component A continuity :

Reactor energy equation :

Jacket energy equation :

= density of cooling water = enthalpy of process liquid = enthalpy of cooling water

FIGURE 3.4 Lumped jacket model.

FIGURE 3.5 metal model.

3.7 SINGLE-COMPONENT VAPORIZER

FIGURE 3.6 vaporizer.

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