TUGAS 2

TEKNIK REAKSI KIMIA LANJUT

Disusun Oleh :
Fatoni Nugroho

Dosen Pengampu:
Dr. Istadi, S.T., M.T.

JURUSAN TEKNIK KIMIA FAKULTAS TEKNIK

UNIVERSITAS DIPONEGORO
SEMARANG
2014

The following data for the hydrogenation of i-octene to form i-octane were obtained using
a differential reactor operated at 200C.
Table 1. Experimental Data

1.

Develop a reaction rate law appropriate with this reaction (possibility controlling
mechanism: (a) if adsorption controlling; (b) if surface reaction controlling; and (c) if
desorption controlling

2.

Suggest a mechanism consistent with the above experimental data

3.

Evaluate the reaction rate law model parameters according to the above experimental
data. Usage of Polymath software was recommended to solve the fitting.

Answer :
Reaction
i-octene + hydrogen
A + B

i-octane
C

1. Develop reaction rate law appropiate with this reaction

we ask what qualitative conclusions can be drawn from the

data about

the

dependence of the rate of disappearance of i-octene, -r A on the partial pressures of

i-octene, hydrogen, and i-octane.
1) Dependence on the product i-octane

In runs 1, 2, 8 and 10, we observe that for fixed concentrations (partial

pressures) of i-octene and hydrogen the rate decreases with increasing
concentration of i-octane. A rate expression in which the i-octane partial
pressure appears in the denominator could explain this dependency:

The type of dependence of -r A on PC given by Equation (1) suggests that ioctane is adsorbed on the clinoptilolite surface.
2) Dependence on hydrogen
In runs 2 and 3, or 1 and 6, we observe that rate increases with increasing
concentration of hydrogen. So we can conclude that hydrogen is adsorbed on
the surface. With combining equation (1) suggests that the rate law may be
of the form

3) Dependence on i-octene.
In runs 2 and 4, we observe that in the low concentration, rate increases with
increasing concentration of i-octene. But in runs 1 and 7, increasing
concentration i-octene will decreasi the rate. We can assume that only low
concentration of i-octene will absorbed on surface, if high concentration of ioctene, it can disturb reaction. With combining equation (2) suggests that
the rate law may be of the form

We now propose a mechanism for the hydrogenation of i-octene. We assume that

i-octene and hydrogen is adsorbed on the surface and then reacts to produce i-octane
adsorbed on the surface. i-octaneis then desorbed from the surface. The rate law can
be :

a. adsorption controlling
There are 2 reactan that adsorbed on surface
A + S
A.S

B + S

B.S

b. surface reaction controlling

A.S + B.S

C.S

c. desorption controlling
C.S

2. Mechanism consistent with the above experimental data

Since approximately 75% of all heterogeneous reaction mechanisms are surface
reaction limited rather than adsorption or desorption limited, we begin by assuming
the reaction between adsorbed i-octene and hydrogen to be reaction rate limited.
For surface reaction mechanism,

we see that we need to replace CAS CBS, and CCS that we can measure. In Equation (8)
by quantities that we can measure.

For surface-reaction-limited mechanisms, we use the adsorption rate Equation (4) to

obtain CAS and eq.(5) for CBS :

And we use desorption rate eq.(7) to obtain CCS

The total concentration

Substitute eq. (9), (10), and (11) to (12), we obtain :

Substitution the substitute for CAS, CBS,and CCS in eq. (8) to obtain the rate law for the
case of surface-reaction control:

By neglecting the reserve reaction we have

Then substitute eq. (13)

3. Evaluation of the rate law model parameter

The data from experiment were entered into the POLYMATH and use
Nonlinier regression :

Figure 1 . Input data (Polymath)

The rates of reaction ( eq. 14) were entered in Polymath :

Figure 2. Model in Polymath

Enter Model parameter

Table 2. Model Parameter
Model parameter

Initial guess

KA

KB

KC

Definite variable in Polymath must be like this :

Figure 3. Variabel in Polymath

Solve the problem

The Polymath Results are given in Figure 3 :

Figure 4. Polymath report

So we have,

Figure 5. Graph Result