Task 2 Responsiveness of Geophysical Computing of Arrhenius's

Equations
Djody Virgiawan Ramadhan 03411740000016
Geophysics Engineering Departemen
Institut Teknologi Sepuluh Nopember Surabaya
ABSTRACT
Arrhenius argued that for reactants to transform into products, they must first acquire a
minimum amount of energy, called the activation energy Ea. At an absolute temperature
T, the fraction of molecules that have a kinetic energy greater than Ea can be calculated
from statistical mechanics. The concept of activation energy explains the exponential
nature of the relationship, and in one way or another, it is present in all kinetic theories.
This experiment was carried out through MATLAB calculations and analysis. Based on
the results of the experimental data, it is obtained that the linear ln K vs 1 / T graph,
where the rise in temperature is directly proportional to the increase in the reaction
rate, corresponds to the Arrhenius equation.
Keyword : Arrhenius equation, Activation energy, and Reaction Rate Constant
1. Introduction other thermally-induced
processes/reactions. The Eyring
The Arrhenius equation is a formula equation, developed in 1935, also
for the temperature dependence of expresses the relationship between
reaction rates. The equation was rate and energy.
proposed by Svante Arrhenius in
1889, based on the work of Dutch As for the purpose of this task is to
chemist Jacobus Henricus van 't compare the value of k (Reaction
Hoff who had noted in 1884 that Rate Constant) to T (Temperature)
van 't Hoff equation for the and the value of log10k to 1 / Ta,
temperature dependence of and explain the effects of energy
equilibrium constants suggests such and Ea (Activation Energy) and A
a formula for the rates of both (Frequency Factor) on the value of
forward and reverse reactions. This K (Reaction Rate Constants)
equation has a vast and important
application in determining rate of 2. Literature Review
chemical reactions and for The process of achieving a complex
calculation of energy of activation. transition state requires energy
Arrhenius provided a physical supplied from outside the system.
justification and interpretation for This energy is called activation
the formula. Currently, it is best energy (in chemistry, also called
seen as an empirical relationship. It initial energy). In endothermic or
can be used to model the exothermic reactions, both have
temperature variation of diffusion positive activation energies, because
coefficients, population of crystal complex transition states have
vacancies, creep rates, and many
higher energy levels than reactants
(Castellan, 1982)
Activation energy is the minimum
energy needed by a chemical
reaction to take place. Activation
energy has a symbol Ea with E
denoting energy and A subscribed
written denotes activation.. The
word activation means that a
chemical reaction requires
additional energy to be able to take
place (Vogel, 1994).
In endothermic reactions, the energy
needed to break the bonds and so on
is supplied from outside the system.
In exothermic reactions, which free
energy, it also requires an external
supply of energy to activate the
reaction (Atkins, 1999).
Activation energy is usually denoted
in E, and given in units of J/ mol.
According to Arrhenius, the rate
constant depends on the temperature
and activation energy based on the
following equation.
The equation is analogous to the
equation of a straight line, which is
often symbolized by y = mx + c,
then the relationship between
temperature activation energy and
reaction rate can be analyzed in
graphs ln k vs. 1 / T with gradient -
(Ea / RT) and intercept ln A (Tim
Dosen Kimia Fisik,2011).
3. Methodology
In this experiment, that is by using
MATLAB software as the main
media in comparing values,
calculating and analyzing arrhenius
equations. The MATLAB series
used is R2017a. For the equation
used to be processed in the script is:

A compound has E = 1 × 105 J/mol

where and A = 7 × 1016. then the equation
is processed in MATLAB and
K = reaction rate (s−1), produces a graph for K, Ta,
Log10(k), and 1 / Ta
A = the preexponential (or
frequency) factor, Flowchart
Ea = activation energy (J/mol),
R = gas constant [8.314 J/(mole ・
K)], and
T = absolute temperature (K).
These equations in the form of
logarithms can be written:

4. Result and Discussion
Based on the processing that has
been done. Get the graph like below,
the green line to describe the
relationship between K and Ta,
while the red line to describe the
relationship log10k with 1 / Ta.
Temperature changes generally
affect the price of the rate constant
k. If the temperature is increased
then the price of k will increase and
vice versa. From the price of k, the
activation energy can be calculated.
From the k versus T graph, it can be
seen that the temperature increase is
directly proportional to the k value
(reaction rate constant). The higher
the temperature, the higher the
reaction rate constant. The
temperature measured is from 253k
- 325k. but it turns out that the
increase in temperature rises in
multiples, for the temperature the
initial temperature rises by 0.0001,
0.0002 to multiply upwards. But
apparently for the initial
temperatures for example at
temperatures of 253k-255k and 256-
257k, the value of k does not
increase. these temperatures are
anomalies, because at the following
temperatures will always increase
the value of the reaction rate
constant (k).
From the graph log10k and 1 / Ta, the
energy activation relationship with
the reaction rate is inversely
proportional. The greater the
activation energy, the reaction rate
will be slower because the minimum
energy for the reaction will be
greater.
Factors that affect activation energy
(Ea) are temperature, frequency
factor (A), catalyst. The smaller the
price of log10k, the higher the price
of 1 / Ta is. This proves that the
higher the temperature the activation
energy will be smaller and the less
time needed to increase the price of
the reaction rate. This is in
accordance with the theory that
activation energy is inversely
proportional to the rate of reaction.
For the relationship between E and
A to the k (reaction rate constant),
that is, the activation energy is
inversely proportional to the
reaction rate and temperature. The
higher the activation energy will
cause the reaction rate to slow down
more. This happens because the
activation energy is the minimum
energy needed for the occurrence of
a reaction. The higher the minimum
energy needed to react, the slower
the reaction occurs. So that an
increasing temperature is needed so
that the activation energy needed
can decrease.
Then, for A (Frequency factors), the
reaction rate is related to the
effective collision frequency that
occurs intermolecularly. If the
frequency of effective collisions is
greater, intermolecular collisions
occur more frequently, resulting in
products being formed in a short
time. By increasing the frequency of
effective intermolecular collisions,
large quantities of the product can
be produced in a short time. Several
factors can change the number of
intermolecular effective collision
frequencies, including: (1)Properties
of reactants and particle size of
reactants, (2) The concentration of
reactants, (3) Pressure on the
reactants in the form of gas, (3)
Temperature, (4) Catalyst
5. Conclusion
The conclusions that can be drawn
from the discussion above are:
a. Based on the results of the
experimental data, it is obtained
that the linear log10k vs 1 / Ta
graph, where the rise in
temperature is directly
proportional to the increase in
the reaction rate, corresponds to
the Arrhenius equation.
b. Temperature variations will
affect the reaction rate, if the
temperature gets higher then the
reaction rate will be faster.
c. There are anomaly temperature
which the value of k does not
increase it is the temperatures of
253k-255k and 256-257k.
d. The activation energy is
inversely proportional to the
reaction rate and temperature.
The higher the activation energy
will cause the reaction rate to
slow down more.
e. If the frequency of effective
collisions is greater,
intermolecular collisions occur
more frequently, resulting in
products being formed in a short
time. So that it speeds up the
reaction rate
6. Advice
As for the advice that can be given
is the practitioner must learn more
and understand every concept that
exists in the arrhenius equation and
activation energy so as to facilitate
future experiments
7. Reference
Atkins PW. 1999. Kimia Fisika.
“Ed ke-2 Kartahadiprodjo Irma
I, penerjemah ; Indarto
Purnomo Wahyu, editor.
Jakarta : Erlangga. Terjemahan
dari : Physichal Chemistry.
Castellan GW. 1982. Physichal
Chemistry. Third Edition. New
York : General Graphic
Services.
Tim Dosen Kimia Fisik. 2011.
Diktat Petunjuk Praktikum
Kimia Fisik. Semarang :
Jurusan Kimia FMIPA
UNNES.
Vogel. 1994. Kimia Analisis
Kuantitatif Anorganik. Jakarta :
Penerbit Buku Kedokteran
(EGC).
Isnardiyanti dan Marfuatun. 2008.
Buku Ajar Kimia. Solo: CV.
Sindhunata.
 Chang, Raymond. 2007. Chemistry Graw Hill.
Ninth Edition. New York: Mc

Lampiran (file m. tidak bisa diupload)

clear all
clc

E = 1*10^5 %activation energy (J/mol)

A = 7*10^16 %the preexponential (or frequency) factor
R = 8.314 %gas constant [8.314 J/(mole/K)]
Ta = 253:325 %absolute temperature(K)

k = A*exp(-E./(R*Ta)) %reaction rate (s-1)

%Program Subplot

subplot(2,1,1); plot(k,Ta,'color','g'); title('\bf\itk versus

T_{a}');xlabel('k'),ylabel('T_{a}');
subplot(2,1,2); semilogx(k,1./Ta,'color','r'); title('\bf\itlog_{10}k
versus 1/T_{a}');xlabel('log_{10}k'),ylabel('1/T_{a}');