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Isothermal Temperature Report

# Isothermal Temperature Report

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Kinetics, isothermal temperature related assignment. It describes a list of equations to be used and concepts
Kinetics, isothermal temperature related assignment. It describes a list of equations to be used and concepts

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09/27/2013

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Journal Article Report

2012

1
NAME:

Sandra Enn Bahinting

STUDENT #:
2012-79306

COURSE:
MS CHE

PROFESSOR:

Dr. Richard Chu
Journal Title:
Isothermal Temperatures for Reversible Reactions
Statement of the Problem
:The optimum temperature progression maximizes the production rate for a given reactor. Itmay be an isothermal or varying temperature conditions; in time for a batch, plug flow and back mixreactors. However, this may not be the case when considering the type of reaction such as theexothermic reversible reaction.The optimum temperature for this kind of reaction is being investigated over a wide range of kinetic parameters. Furthermore, it compromises the kinetic and thermodynamic factors to maximizethe final conversion for a given reaction time. Thus, the paper establishes the best approach todetermine rapidly the optimal temperature and equilibrium conversion for some commonlyencountered homogeneous reversible exothermic reactions.
Brief Background
It follows that at any composition for a given type of reactor, the optimum temperatureprogression is the temperature, which the rate is at maximum. Thus, for an irreversible reaction, theoptimal temperature is the highest allowable where highest rate occurs as determined by physicalfactors such as reactor material of construction, selectivity and decomposition of the product. Similarly,for endothermic, reversible reactions, a rise in temperature increases both the equilibrium conversionand the rate of reaction. Thus, the highest allowable temperature should be use.For exothermic reversible reactions, the case is different. The increase in temperature results ina speeds up of the rate of forward reaction but a decrease in the equilibrium conversion. Thus, theoptimal temperature has to be a compromised of these kinetic and thermodynamic factors to attainrationally high reaction rates and yet large conversions.

Journal Article Report

2012

2
Materials and MethodA.

Development of Graphs
Consider the first-order reversible reaction involving chemical species and:Eqn. [1]where
A
is the reactant,
S
is the desired product to be maximized,

and

are the forward andbackward reaction rate constants.For a given constant-volume batch reactor, the rate of disappearance of A may be expressed by:



–

Eqn. [2]where
is the rate of disappearance of
A
,
and
is the concentration of
A
and
S
, respectively; and
is time.For such reaction, the temperature-dependent term, the reaction rate constant, is practically bewell represented by Arrhenius
law. The variation in rate with temperature is expressed as follow:


Eqn. [3]




Eqn. [4]

where


and

,
are called the frequency or pre-exponential factor of forward and reverse reaction,
1

and
2
are the respective activation energies of the forward and reverse reaction,
R
is the gasconstant, and
is absolute temperature
.
As suggested by Millman and Katz, the following equations define dimensionless parameters:

Eqn. [5]

Eqn.

[6]





Eqn.

[7]

f

Journal Article Report

2012

3





Eqn. [8]





Eqn. [9]

where
is the reaction time,
is fractional conversion of A and

is the initial concentration of A.Substituting Eq. (3) to (9) into Eq. 1 yields the following dimensionless form of the rateexpression:






Eqn. [10]Integrating the equation above from

initial conversion to

final conversion, and
from 0to 1, yields:






] Eqn. [11]A search technique on a digital computer was use to maximize the equation above. Two graphswere obtained after maximizing

in Eq. (11) with respect to
11
for different values of
a
and
B
11
, with

for this reaction. Furthermore, a series of graphs were made for other reaction mechanismhaving a similar development above considering also its dimensionless parameters.
B.

Using the Graphs
Two approached used to solve for the optimal isothermal temperature using these graphs (Fig. 1and 2);1.

Specify desired conversion. The value of B may be obtained using the conversion
vs.dimensionless parameter B

by stating the conversion desired. From B

and kineticparameters, the reaction time t
is then calculated using the definition of B in Table 1. Fromthe dimensionless temperature T vs B plot, T

can be obtained and actual temperature iscalculated using the definition in Table 1.2.

Specify reaction time. Using the definition in Table 1, B
11
is then calculated. Obtained thevalue of T

from T

vs. B plot. The actual temperature is computed using the definition of T

from Table 1.The value for optimal conversion is obtained from the conversion of A vs. B

plot.

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