Title : Rate and order of chemical reaction and factors affecting rate

Date : 1/7/2020

Objectives :
1. To calculate and determine the order of reaction and rate constant in order to determine
the rate law expression for the reaction.
2. To observe and study the effect of concentration and temperature on reaction rates.
3. To calculate the activation energy ( E a ) using Arrhenius Equation.

Introduction :
Chemical reactions are the conversions of reactants into products where the rate of
reaction can be determined by monitoring the changes in physical or chemical properties with
time. Concentration, physical states of reactants, temperature and presence of catalysts can
affect reaction rates.
Rate is a time-based measurement, which means it is always changing as a reaction
takes place. Rate can be represented using a differential rate law, to express the change in
concentration over a change in time. Experimentally, it is difficult to use the differential rate
law, so the rate law can be represented as the integrated rate law by integrating the differential
rate law using mathematical derivation. The integrated rate law represents the initial
concentration of the reaction and at a specified time interval.
The general rate law expression is as below :
rate = k [ A ]n
where rate is the initial rate of the reaction, k is the rate constant, and n is the order of reaction.
By measuring the rate and determining the rate constant at various temperatures, Arrhenius
equation is involved to determine the activation energy of a reaction, Ea. Arrhenius equation is
as below :
−𝐸𝑎
k = A𝑒 𝑅𝑇
In order to provide a full kinetic profile for how fast or slow a reaction progresses and to
provide real-world information on how factors like temperature and concentration affect the
reaction, the rate law, including reaction order with the activation energy of a reaction can be
combined.
In this experiment, the effect of various concentration and temperature on the reaction rates
will be studied and observed.
Part I : Concentration dependence of reaction rates
This part involves varying the initial concentration of the reactants. The simulation is
based on simple reactions where A is the reactant and B is the product :
A B

Part II : Temperature dependence of reaction rates

This simulation involved the effect of temperature , the activation energy ( E a ) of a
reaction and the energy difference between products and reactants ( E ). A simple reaction is
also used in this simulation which involves the conversion of one mole of reactant, A to one
mole of product, B :
A B

Materials :
- Computer simulation
- Software
- Scientific calculator
PROCEDURE :
Part I : Concentration dependence of reaction rates

Figure 1

1. The free online simulation software was opened through the provided link.
2. The reaction A B was selected for the trial. A graph on the concentration vs time
was observed.
3. Four different concentrations were varied using the slider ( 0.3 mol/L, 0.5 mol/L, 0.7
mol/L and 0.9 mol/L )
4. The simulation speed was set at 10.
5. The reaction was pressed and held until the graph reached 3000 seconds.
6. The initial rate readings for different concentrations were collected and input in Table
1.
7. The graph for the four concentrations were copied and screen captured.
Part II : Temperature dependence of reaction rates

Figure 2

1. The free online simulation software was opened through the provided link.
2. The initial concentration was set at 0.5 mol/L .
3. Three different temperatures were varied using the slider ( 273K, 303K , and 450K ).
4. The simulation speed was set at 10.
5. The react button was pressed and held until the graph reached 3000 seconds.
6. The initial rate readings for the different temperatures were collected and input in Table
2.
7. A graph based on the data collected was plotted using excel sheet.
8. The data was presented in an overlay graph.
RESULTS :
Part I : Concentration dependence of reaction rates.
Concentration vs Time Concentration vs Time

Concentration [A] = 0.3 mol/L Concentration [A] = 0.5 mol/L

Concentration vs Time Concentration vs Time

Concentration [A] = 0.7 mol/L Concentration [A] = 0.9 mol/L

Trial Initial Initial rate Rate constant, k

Concentration [A], ( mol/L ) ( mol/L∙s ) ( s-1 )

1 0.30 2.51 x 10-3 8.36 x 10-3

2 0.50 4.18 x 10-3 8.36 x 10-3

3 0.70 5.85 x 10-3 8.36 x 10-3

4 0.90 7.52 x 10-3 8.36 x 10-3

TABLE 1
Calculation :
Part II : Temperature dependence of reaction rates

Initial concentration [A] : 0.50 mol/L

Temperature, T ( K ) Initial rate ( mol/L∙s ) Rate constant, k ( s-1 )

273 1.32 x 10-2 0.0264

303 2.84 x 10-2 0.0568

450 2.76 x 10-1 0.5520

TABLE 2
k ( s-1 ) T(K) ln k 𝟏
( K-1 )
𝑻

0.0264 273 -3.63 3.66 x 10-3

0.0568 303 -2.67 3.30 x 10-3

0.552 450 -0.59 2.22 x 10-3

DISCUSSION :
Part I : Concentration dependence of reaction rates
From the graphs observed in results for part I, the graph for each concentration shows
a decreasing trend. A reaction involves a conversion of the reactants into products. From the
graph, the concentration of the reactant, A decreases as time increases. This is because the
reactant has been converted into product, B. Therefore, the concentration of reactant decreases
as time increases while the concentration of product increases as time gets longer.

From the data in Table 1, the conclusion is as concentration of reactant increases, the initial
rate of the reaction increases. Based on the collision theory, there are two factors that affect the
rate of reaction which is the amount of energy and the frequency of collisions during a reaction.
In addition, there are several factors that can change the amount of energy and the frequency
of collisions in a reaction. This includes the varying of concentration of reactant. When the
concentration increases, the rate of reaction increases. This is because when the concentration
is increased, there will be more particles per unit volume. When there are more particles during
a reaction, the frequency of collision between the particles will increase. For a reaction to occur,
the particles of the reactant need to collide with each other in the correct orientation. Therefore,
when there are more particles of a reactant in a container, the probability of a successful
reaction is high because the particles collide with each other more frequently. To conclude,
when the concentration of reactant is increased, there will be higher proportion of particles that
will experience a successful reaction to produce more products. Hence, the rate of reaction is
of course increased as more concentration of reactant over a time is being converted into
products. This is based on the formula for rate of reaction :

∆[𝐴]
rate = ∆𝑡

where ∆[A] is the change of concentration and ∆t is the difference of time.

From Table 1 also, the rate constant for each concentration remains the same. This is
because the temperature during the reaction is kept constant. Based on Arrhenius equation :
−𝐸𝑎
k = A𝑒 𝑅𝑇

value of k will not change if the temperature, T is kept constant. The rate constant for the
reaction can be calculated using the rate law expression :
rate = k [A]n
As shown in results, the reaction order is n = 1. Therefore, from the experimental data, the
value of k can be calculated by substituting any value of the initial rate and initial concentration
from any trial. For instance, the rate constant is calculated using the values from trial 3 :

Part II : Temperature dependence of reaction rates

From the results in Table 2, when the initial concentration, [A] is being kept constant,
the trend of the initial rate is increasing when the temperature is increased. As stated in
discussion of part I, based on collision theory, the rate of reaction is affected by two factors
which are the amount of energy possessed by the particles and the frequency of collisions
between the particles in a reaction and these two factors are affected by other several factors
which includes temperature. Based on the collision theory, when the temperature is increased,
the rate of reaction will increase. This is because when the temperature is increased, more heat
is provided to the particles or molecules of the reactant. When the molecules receive more heat,
the kinetic energy of the molecules increases. Then, as the kinetic energy of the molecules
increases, the molecules will move faster which lastly resulted in a more frequent collision
between each other. In addition, as the temperature is increased and the molecules received
more heat, the energy of the molecules also increases. For a successful reaction to occur, the
molecules of the reactant need to collide with each other in the correct orientation and the
molecules need to overcome the activation energy. Therefore, when the temperature is
increased, the frequency of collisions between the molecules and the energy possessed by the
molecules are both increased. Hence, there will be a higher proportion of molecules that can
successfully collide with each other and a higher number of molecules that can overcome the
activation energy for a reaction to occur.
In order to calculate the rate constant for part II, the rate law expression is also used :
rate = k [A]n
The reaction order is n = 1 because an assumption is made where the same reactant used in part
I is also used in part II. For example, the rate constant when the temperature is set at 450K can
be calculated as follow :

As observed in Table 2, when the temperature, T is increased, the rate constant for the reaction
also increases. This is because based on Arrhenius equation :
−𝐸𝑎
k = A𝑒 𝑅𝑇
−𝐸𝑎 −𝐸𝑎
when the temperature, T is increased, the value of 𝑒 𝑅𝑇 will increase. As the value of 𝑒 𝑅𝑇
increases, the value of rate constant will increase when A is constant because rate constant is
−𝐸𝑎
directly proportional with 𝑒 𝑅𝑇 .
The graph of ln k vs 1/T is plotted in order to find the activation energy for the reaction. This
is the graphical method in order to find the activation energy when the temperature for the
reaction is varied. Based on the derivation of Arrhenius equation, the formula formed is as
follows :
−𝐸𝑎 1
ln k = (𝑇 ) + ln A
𝑅𝑇

This formula is actually the same as :

y = mx + c
where m is the slope of the graph. Based on the formula for the graph, y – axis is equal to ln k
−𝐸
while x – axis is equal to 1/T. The slope of the graph, m is equal to 𝑅𝑇𝑎 .
Therefore, after plotting the graph of ln k vs 1/T, the slope of the graph can be found by using
the formula :
∆𝑦
slope, m = ∆𝑥

and the value of activation energy, E a can be calculated by using the formula :
−𝐸𝑎
m= 𝑅𝑇

The calculation is as follows :

Reliability :
This experiment is done by using simulation software. Therefore, there was no
error made as the software makes precise reading. Hence, there are no systematic error or
random error in this experiment. No percentage error needed to be calculated and the result is
reliable. However, one difficulty faced during the use of the simulation software is software
lagging due to poor connection. The browser was stuck for a few times before it can be
accessed.
Based on the objectives of the experiment, which is to calculate the reaction order and
the rate constant in order to express the rate law for the reaction, the results are 100 percent
reliable. Therefore, the effect of concentration and temperature on the rate of reaction can be
observed clearly by defining the trend of the reaction rates when various of concentration and
temperature is used. Next, by using the reliable data obtained, a graph of ln k vs 1/T can also
be plotted accordingly to determine the activation energy of the reaction.

Modification :
The modification that can be done to ensure no difficulties in conducting the simulation
is to use a LAN cable or stay closer to the Wi-fi router to get a better connection.
QUESTIONS
Answers:
1. Based on data in Table 1, the rate law expression is :
rate = k [A]
2. Yes, it is possible to calculate the rate constant.
3. From part II, when the temperature is reduced, the rate of reaction decreases. This is
because when the temperature is reduced, lesser heat is provided to the particles or
molecules of the reactant. When the molecules receive less heat, the kinetic energy of
the molecules decreases. Then, as the kinetic energy of the molecules decreases, the
molecules will move slower which lastly resulted in a lower frequency of collision
between the particles. In addition, as the temperature is decreased and the molecules
received lesser heat, the energy of the molecules also decreases. For a successful
reaction to occur, the molecules of the reactant need to collide with each other in the
correct orientation and the molecules need to overcome the activation energy.
Therefore, when the temperature is reduced, the frequency of collisions between the
molecules and the energy possessed by the molecules are both decreased. Hence, there
will be a lower proportion of molecules that can successfully collide with each other
and a lower number of molecules that can overcome the activation energy for a reaction
to occur.

4.

k ( s-1 ) T(K) ln k 𝟏
( K-1 )
𝑻

0.0264 273 -3.63 3.66 x 10-3

0.0568 303 -2.67 3.30 x 10-3

0.552 450 -0.59 2.22 x 10-3

5. If I were tasked in determining whether to proceed with a particular reaction in an industrial
facility, studying the chemical kinetics of the reaction be important to me because I can
change the variables required in a reaction to increase production or to speed up the
reaction in order to fulfil the demand of industrial products in a shorter time. For
example, by studying how temperature affect the rate of reaction, I can increase the
reaction rate to be completed in a shorter time. Next, I can also increase the production
rate by studying how the concentration affect the rate of reaction.
CONCLUSION :

In the conclusion, based on the results, as the concentration and temperature increase,
the rate of reaction increases. Therefore, hypothesis is accepted. Based on collision theory, the
temperature and concentration will affect the amount of energy possessed by the molecules of
a reactant and also the frequency of collisions between the molecules. The rate constant can
also be calculated using the rate law expression, rate = k [A]n and the activation energy, Ea can
−𝐸𝑎
be calculated by deriving the Arrhenius equation, k = A𝑒 𝑅𝑇 . The graph of ln k vs 1/T is plotted
to determine the slope of the graph and then use the value of the slope to find the activation
energy. For instance, the value of rate constant in part I is calculated to be 8.36 x 10 -3 s-1 for
each concentration and the activation energy in part II is 17.6 kJ/mol. In real life, the study of
how the concentration and temperature affect the reaction rates is used widely in industrial
production. By changing the value of concentration and temperature, the reaction can either be
slowed down or sped up based on industrial demands.

Link to simulation video :

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