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Chemical Reactions
CC 2011 ICT for IST
This project has been funded with support from the European Commission under the Lifelong Learning
Programme. This publication reflects the views only of the author, and the Commission cannot be held
responsible for any use which may be made of the information contained therein.
ICT for Innovative Science Teachers Leonardo da Vinci programme
2009-1-PL1- LEO05- 05046
Chemical reactions are all around us:
cooking, burning, rusting, souring,
photosynthesis, respiration, starting
an engine, food rotting in the fridge
and many, many others.
Chemical reactions occur at different
rates. Iron rusting is a slow reaction
which can take many years.
The fermentation of sugar to alcohol is
quite slow but you can see the carbon
dioxide bubbles forming.
Combustion reactions e.g. when a fuel
burns in air or oxygen, is a very fast
reaction.
Explosive reactions would be described
as „very fast‟.
Chemical Equilibrium Module - 2
A. Introduction
1. Background theory
1. REACTION RATE
A chemical reaction is a process in which two or more substances (reactants)
change into one or more new substances (products).
The rate of a chemical reaction indicates how fast a reaction takes place. In
other words the reaction rate is the 'rate of formation of product' or the 'rate of
removal of reactant'.
For a one-step reaction BA reaction rate at which A transforms in B, is the
change in concentration of A with time, mathematically expressed as:
t
Arate
][ or
t
Brate
][
For a general reaction with stoichiometric coefficients (represented by lowercase
letters)
qQpPbBaA
The theme of this module is chemical reactions and a chemical equilibrium.
This topic requires integrated understanding of many areas of introductory
chemistry. Many students have considerable difficulties understanding
concepts and processes involved in this topic, especially the concept of
dynamic equilibrium. The following activities are available in this module:
1. Data Video: an activity to investigate and determine rate of reaction
by measuring a change of volume of a gas which is formed during
a reaction.
2. Data logging: Three laboratory experiments:
To investigate factors effecting rates of reactions.
To determine order of a chemical reaction.
To investigate a chemical equilibrium.
3. Modelling: activities which illustrate how to model non-reversible
and reversible chemical reactions.
Chemical Reactions Module - 3
reaction rate is:
dt
Qd
qdt
Pd
pdt
Bd
bdt
Ad
arate
][1][1][1][1
with negative sign for reactants and positive signs for products.
Reaction rate can be measured by using different experimental techniques:
by measuring a change of volume of a gas which is formed during a reaction,
by measuring a change of pressure of a gas which is formed during a reaction,
by measuring a change of colour during a reaction,
by measuring a change of conductivity during a reaction etc.
2. FACTORS AFFECTING RATE OF REACTION
Every chemical reaction proceeds at its own rate. Some reactions are naturally
fast and some are naturally slow under the same conditions. However, by
varying the conditions of the reaction, the rate of almost any reaction can be
modified. There are five factors which affect the rate of a reaction, according to
the collision theory of reacting particles.
Temperature: Usually conducting a reaction at a higher temperature delivers
more energy into the system and increases the reaction rate by causing more
collisions between particles, as explained by collision theory. The influence of
temperature is described by the Arrhenius equation.
Concentration: Reaction rate increases with concentration, as described by
the rate law and explained by collision theory.
Pressure: The rate of gaseous reactions increases with pressure, which is, in
fact, equivalent to an increase in concentration of the gas.
Surface Area: In reactions on surfaces, which take place for example during
heterogeneous catalysis, the rate of reaction increases as the surface area
increases. That is because more particles of the solid are exposed and can be
hit by reactant molecules.
Catalysts: The presence of a catalyst increases the reaction rate by providing
an alternative pathway with a lower activation energy.
Chemical Reactions Module - 4
3. RATE LAW
Experimentally it is found that reaction rate depends on the concentration of the
species involved in the reaction. The relation between the rate and these
concentrations can be expressed mathematically in the form of an equation
called a rate law.
For a reaction qQpPbBaA , the rate equation is of the form
ba BAkr ][][
In this equation k is the reaction rate coefficient or rate constant, although it is
not really a constant, it depends on several factors, such as temperature,
surface area, etc.
The exponents a and b are called the reaction orders and depend on the reaction
mechanism. They reaction orders must be determined experimentally.
For a zero-order reaction (red line),
the rate of reaction is constant as the
reaction progresses.
For a first-order reaction (green line),
the rate of reaction is directly
proportional to the concentration. As
the reactant is consumed during the
reaction, the concentration drops and
so does the rate of reaction.
For a second-order reaction (blue line),
the rate of reaction increases with the
square of the concentration, producing
an upward curving line in the rate-
concentration plot. For this type of
reaction, the rate of reaction
decreases rapidly (faster than linearly)
as the concentration of the reactant decreases.
4. TEMPERATURE DEPENDENCE
Rate constants, and hence reaction rates, are often found to dependent strongly
on temperature. It is therefore important to quote the temperature at which any
rate constant is determined. Most commonly the rate goes up with temperature,
but this is not always the case.
Experimentally, a very large number of rate constants, are found to vary with
temperature according the Arrhenius equation:
RT
Ea
Aek
Chemical Reactions Module - 5
Ea is the activation energy and R is the gas constant. The values for A and Ea are
dependent on the reaction.
The equation can be manipulated into a straight line by taking natural logarithms
of both sides:
TR
EAk a 1)ln()ln(
So a plot of ln(k) against 1/T should be a straight line, such a plot is called
Arrhenius plot. The slope of the plot is -Ea/R and the intercept with the vertical
axis, when 1/t goes to zero, is ln(A).
5. REVERSIBLE REACTIONS AND DYNAMICAL EQUILIBRIUM
In reversible reactions, the reactions occur simultaneously in both directions.
The forward and backwards reactions continue up to a moment of chemical
equilibrium in which the forward and backward rates are equal. As a result, there
is no change in the concentration of any of the species, even though the
reactions are still going on.
For a reversible reaction involving two reactants and two products
aA + bB cC + dD
at equilibrium the rate of forward reaction is equal to the rate of backward
reaction
dc
b
ba
f DCkBAk ][][][][
the equilibrium constant is b
f
ba
dc
eqk
k
BA
DCK
][][
][][.
This constant provide valuable chemical information, if Keq >1 this means that
products are favoured over reactants, and if Keq < 1 this means that reactants
are favoured over products.
2. Pre-requisite
knowledge required
Chemical calculations using
the mole
Definition of concentration
3. Science concepts
developed in the
module
Reaction rate
Rate law
Rate constant
Chemical equilibrium
Chemical Reactions Module - 6
4. Other useful
information
Helping you to understand Chemistry
http://www.chemguide.co.uk
It is possible to find interactive
activities on the Internet about
modelling chemical reactions. Just
a few examples:
Connecting Kinetics and Equilibrium:
Reversible First-Order Reactions in
http://www.bpreid.com/applets/re
versible.html
Chemical Reaction Simulations in
http://www.science.uwaterloo.ca/
~cchieh/cact/trios/simulation.html
#reaction
Chemical Kinetics Simulation in
http://www.chem.uci.edu/undergr
ad/applets/sim/simulation.htm
B. Didactical approach
1. Pedagogical context
The activities here concern basic concepts related to chemical reaction rate and
chemical equilibrium. Gradient of sophistication is offered here, for the lower
secondary level via a qualitative approach, and for the higher secondary level via
quantitative approach and via modelling.
2. Common student difficulties
Students have difficulties in:
Interpreting graphs with time as
the independent variable plotted
on the horizontal axis
Assuming that equilibrium means
“the end of the reaction” [1]
Associate a high k value with a
very fast reaction [1]
Understanding that in equilibrium
two reactions occur at the same
time [2]
Assuming that the concentrations
of all reactants are equal at
equilibrium [3]
Assuming that all rate laws are
expressed using stoichiometric
coefficients
REFERENCES:
1. Vanessa Kind, Beyond Appearances: Students’ misconceptions about basic
chemical ideas available via
http://www.chemsoc.org/networks/learnnet/miscon.htm
Chemical Reactions Module - 7
2. Van Driel, J.H., (1990), “Betrokken bij Evenwicht”, Utrecht: CD Press,
dissertation didactics of chemistry education
3. Barke, H.D., Hazari, A., Yitbarek, S., (2009), “Misconceptions in
Chemistry”, Berlin Heidelberg: Springer
4. http://www. daisley.net/hellevator/misconceptions/misconceptions.pdf
3. Evaluation of ICT
The specific qualities of ICT which benefit student learning are specified below
per a type of activity.
VIDEO MEASUREMENT
Activity 1. Rate of reaction of magnesium with hydrochloric acid
In this activity the reaction rate is measured by measuring a volume of hydrogen
gas, which is formed during a reaction of magnesium with hydrochloric acid.
When a gas is formed from a solid reacting with a solution, it is collected in a
measuring cylinder filled with water. The water level in the cylinder indicates the
volume of the collected gas. A video recording is a useful method of measuring
changes in the water level as a function of time. To better visualize the water
level, lightweight brown balls are floated on the water surface in the cylinder.
DATA LOGGING
Activity 2. Factors affecting rates of reaction
In this activity students investigate several factors that affect the rate of the
reaction of magnesium metal with hydrochloric acid.
Mg(s) + 2HCl(aq) MgCl2(aq) + H2(g)
Chemical Reactions Module - 8
In this reaction, hydrogen gas is produced as a product thus pressure during the
reaction increases if the reaction container is a closed system. Pressure sensor is
used to measure the change in pressure.
This activity consists of three parts:
I - determining how changing the temperature of the reactants influence the rate
of reaction;
II – determining how changing the particle
size of one of the reactants changes the rate
of reaction;
III – determining how changing the
concentration of one of the reactants
changes the rate of reaction.
An advantage of this experiment is that the
rate of reaction is indicated immediately as a
gradient on the graph line. Only small
quantities of chemicals are needed and
results are obtained so rapidly, the
experiment is easily repeated with different
conditions.
SAFETY NOTE: The rubber bung should not
be pushed too hard into the neck of the test
tube, but should be allowed to pop out when
the pressure exceeds a safe level. Typically
this happens at less than 1.5 atmospheres.
Activity 3. Rate and order of reaction
When sodium thiosulphate reacts with a hydrochloric acid, a yellow precipitate of
sulphur is formed:
Na2S2O3 (aq) + 2HCl(aq) 2NaCl(aq) + SO2 (aq) + H2O(l) + S(s)
sodium thiosulphate + hydrochloric acid sodium chloride + sulphur dioxide + water + sulphur
In this activity the rate of this reaction is measured by using a light gate to
detect the precipitate formation. The system consists of a light beam source and
a light sensor. The reaction vessel (e.g. a small cuvette) is placed between the
light emitter and sensor. The light reading falls as the sulphur precipitate forms
and the time taken to form a certain amount of sulphur is measured.
Chemical Reactions Module - 9
Left: Cuvette filled with a clear solution in front of the light sensor.
Right: A precipitate of sulphur forms when the chemicals mix.
The rate of reaction for each experiment run can be expressed as
amount of formed sulphur/time
Since the absolute mass of sulphur formed is not known, the reciprocal of the
time is taken as a measure of the relative rate of reaction.
According to the rate law the rate equation for this reaction is:
r = k[ HCL] m [ thiosulphate] n
where m is the reaction order with respect to HCL, and
n is the reaction order with respect to sodium thiosulphate.
The values of the reaction orders are determined experimentally, first for sodium
thiosulphate. The experiment, in which the reaction time is determined, is
repeated with other concentrations of sodium thiosulphate.
Assuming that in each of these experiments the concentration of acid is constant
and the concentration of thiosulphate varies, the rate equation becomes:
nate][thiosulphconstr
Taking logarithms of both sides of the rate equation gives:
ate])[thiosulphln(nconst)ln(lnr
When ln(r) is plotted against ln([thiosulphate]) the result is a straight line
whatever the order of the reaction. The gradient of this line, which is n, gives
the order of the reaction with respect to thiosulphate.
In similar way the order of reaction with respect to acid can be found.
This method of finding the reaction order is called the differential method.
Chemical Reactions Module - 10
Activity 4. Dissolving limestone
In water a chemical equilibrium between limestone, carbon dioxide and dissolved
calcium hydrogen carbonate becomes established:
CaCO3(s) + H2O(l) + CO2(g) Ca2+
(aq) + 2 HCO3-
This equilibrium is of major geological importance. A lot of Karst landscapes form
by dissolving limestone in carbon dioxide enriched water. Coral reefs develop by
precipitating limestone.
The solution and precipitation of limestone can be studied with a conductivity
sensor. A calcium carbonate suspension in water and a carbon dioxide solution
both have a quite low conductivity.
The conductivity increases immediately after adding calcium carbonate to
mineral water or bubbling carbon dioxide gas through a calcium carbonate
suspension. If you bubble air through the solution it removes carbon dioxide and
the equilibrium shifts to the left. The conductivity decreases immediately.
MODELLING
The Modelling activities in this module illustrate how to model chemical reactions.
There are many types of chemical reactions and these activities show only a few
examples. The examples use two software systems, Coach 6 and Simulation
Insight, which illustrate two different methods of expressing models. For both
systems, ready-made models are available and students can use them as
simulations which offer the possibility of experimenting with different parameters
for investigating different conditions.
Coach 6 offers an improved graphical modelling approach specially adapted for
chemical reactions. This approach is based on kinetic graphs offers much clearer
visual representations of chemical reactions:
A „Process element‟ , used in the context of chemical kinetics, stands for the
reaction rate of a stage in a chemical reaction, which depends on the reaction
rate coefficient, the concentrations of reactants involved in the reaction step and
their stoichiometric coefficients. The In and Out coefficients (defined in the
Process properties) represent stoichiometric coefficients of the reaction stage
and determine the exact relationship between the reactants and products of the
reaction (ingoing and outgoing flows).
Activity 5. Modelling non-reversible reactions
The activities here illustrate how to model non-reversible reactions.
A. Non-reversible reaction A to B
The model given in this activity describes a simple non-reversible chemical
reaction A B. For simplicity it is assumed that the reaction is of a first order. The rate law is then r = k*[A] where k is reaction rate coefficient.
Chemical Reactions Module - 11
The Process element used in the model stands for the reaction rate r.
Models of reaction A B
The resulting graphs show the change of concentration of species A and B.
In the extra assignment the model has to be extended to describe two
successive reactions A B C.
B. Non-reversible reaction A B + C
C. Non-reversible reactions A + B C
These two activities illustrate how to model more complex non-reversible
reactions.
Students analyse the model and investigate the effects of changing initial
concentrations of the A, B and C species and effects of changing the reaction
rate.
As assignment in activity B students have to modify the given model and create
the model of a crack reaction in which propane is cracked and forms ethylene
and methane: C3H8 (g) C2H4 (g) + CH4 (g).
Modifying the model means changing variable names and adjusting their initial
values. The reaction rate is then automatically adjusted to r=k*[C3H8] (first order
reaction). Adjusting of In and Out coefficients of the process element is not
needed since all stoichiometric coefficients of this reaction have value 1.
Chemical Reactions Module - 12
Model of reaction C3H8 (g) C2H4 (g) + CH4 (g)
As assignment in activity C students have to modify the given model and create
the model of the gas-phase oxidation of nitric oxide: 2NO + O2 2NO2.
Important step here is not only adapting the variable names but also adapting:
the reaction rate to:
r=k*[NO]2*[O2] (because this is a first order reaction with respect to O2, and
a second order reaction with respect to NO], and
In and Out coefficients to stoichiometric reaction coefficients:
Coefficient [NO]=2, Coefficient [O2]=1, Coefficient [NO2]=2.
The resulting graphs of concentrations changes during reaction of 2NO + O2 2NO2
Activity 6. Modelling reversible reactions
The activities here illustrate how to model reversible reactions and introduce the
concept of dynamical equilibrium.
A reversible chemical reaction can be considered as two simultaneous reactions,
each one with its rate law and its rate constants, k1 and k2.
After some time the 'system settles down' and the net concentrations of the
reactants and products remain constant i.e. a state of concentration balance
exists.
Chemical Reactions Module - 13
A. Reversible reactions A B
The model in this activity describes a simple reversible reaction A B. In order
to simplify the models the reaction first order rate laws.
As assignment in this activity students have to modify the given model and
create the model of reaction N2O4 2 NO2 in which, dinitrogen tetroxide N2O4, a
colourless gas, and nitrogen dioxide NO2 a dark brown gas, exists in equilibrium
with each other.
B. Modelling reversible reactions A B + C
C. Modelling reversible reactions A + B C
These two activities illustrate how to model more complex reversible reactions.
The examples use two products in the first example and two reactants in the
second example. In order to simplify the models, all reactions have first order
rate laws.
The student is asked to:
change the rate constants and discuss how the change affects the time taken
to reach the equilibrium;
choose different initial conditions and discuss what happens, particularly
when, in the beginning, only one of the two reactants is present;
analyse specific cases of initial conditions and values for the rate constants;
predict what will happen for different initial conditions and relative values of
rate constants.
Activity 7. Crystal violet
When a solution of crystal violet (violet-coloured) reacts with sodium hydroxide
it forms a colourless compound (CVOH). A simplified version of the equation is:
CV+ + OH- CVOH
In this activity students compare the results of the given model with the results
of measurement (the activity 7. Crystal violet reaction – measurement).
The model assumes
that the reaction rate
r is proportional to
concentration of
crystal violet.
r = k*[CV]
Students may verify
this assumption by
comparison with the
measurement results.
If crystal violet is not available, phenolphthalein may be used as an alternative.
Chemical Reactions Module - 14
4. Teaching approaches
The three activities presented here
offer distinctive but complementary
insights into the science involved in
this topic. The Modelling activities
offer graphical models describing
process of chemical equilibriums.
These models are proposed to be
used as simulations.
For the activities to be effective for
teaching and learning, it is helpful for
teachers to consider two types of
skills in using the software tools:
Operational skills which concern
the knowledge of the features in
the software and manipulation of
the computer software.
Procedural skills which concern
the manner in which the software
tools are employed in the lesson
context for the purpose of
achieving learning benefits. A
dominant aspect of these skills is
the development of an inquiring
approach to the analysis and
interpretation of data and to
making links with previous
knowledge.
Such skills are important for the
preparation of pupils for the activities,
and the activity sheets below each
contain indications of the skills
needed for the particular activity.
For the teacher, there are further
pedagogical skills which contribute
to the effectiveness of the activities:
1. Clarity of learning objectives for
each activity.
2. Understanding of the special value
of the ICT method and exploiting
its full potential in purposeful
ways.
3. To manage the activity in a way
which promotes „appropriate‟
rather than „indiscriminate‟ use of
ICT.
4. To integrate the learning from
each activity to develop pupils‟
understanding of the topic.
The development of the last of these
is a particular aim of the ICT for IST
Project, and the activities presented
have been specially selected to
illustrate how integration might be
achieved. Comparisons of the
observations and results of each
activity form a central role in this
integration process. For example
comparing data from the model with
experimental data as well from data-
logging experiment as from video
measurement.
In these, the graph is a key tool in
facilitating comparisons and
interpretations and skills with graphs
generally provide a common thread in
exploiting ICT for IST activities.
The management of the classroom
setting also has an important
influence on the successful
integration of activities. When access
to computer equipment is scarce it is
likely that the teacher will wish to
present the activity as a
demonstration in a didactic manner.
In this mode, the teacher can give
strong guidance to pupils‟ thinking
about the comparisons between the
activities.
Alternatively, pupils could perform
the activities in small groups of three
or four pupils, each group engaged
on a different activity.
Integration might be achieved by
each group making a presentation of
Chemical Reactions Module - 15
their results to the whole class. In
chairing these presentations the
teacher can prompt discussion of the
significant findings of each group.
It is worth considering that all the
activities may be used in a variety of
learning contexts.
Although the activities have been
designed to provide complementary
experiences, it is not essential to use
all of them; two or three activities
might be chosen according to how
well they suit the needs of teachers
and pupils in a particular context. In
varying conditions between schools
and within schools at different times
of the year or different stages in the
curriculum, needs and
appropriateness are likely to change;
for example, an individual pupil might
need a revision or extension activity,
an enrichment activity might be
required to occupy some spare time,
a quick activity might be needed if
time is scarce. The overlapping
features, such as graphical
presentation, between the activities
allows them to be used to a certain
extent as alternatives, but their
distinctive features also allow them to
be used as complements to each
other.
The table on the next page
summarises the distinctive potential
learning benefits of each. It is a
useful guide to the special value of
each ICT activity.
Activity Potential learning benefits, ‘ICT value’
Data logging Graph of measured by sensor quantity (light intensity,
pressure) versus time is displayed during experiment.
Changes are observable immediately.
Analysis tools facilitate further investigations.
Data video Allows analysis of the water level in a measuring cylinder.
A graph of gas volume versus time is created during the
measurement.
Modelling The models illustrate the chemical reactions and „visualize‟ the
changes in equilibrium.
Models are used as simulations.
The effect of altering a parameter such as a reaction rate or
reactants/products concentrations can be investigated.
The model data can be compared with experimental data.
Chemical Reactions Module - 16
5. Resources for Student Activities
USING COACH 6 SOFTWARE
Activity Software
program
Files available in Coach 6 Project
Chemical Equilibrium
1. Data Video Coach 6 1. Rate of reaction of magnesium with hydrochloric
acid.cma (activity file)
1. Rate of reaction of magnesium with hydrochloric
acid.cmr (result file)
2. Data logging Coach 6 2. Factors affecting rates of reactions.cma (activity
file)
2A. Reaction - effect of temperature.cmr (result file)
2B. Reaction – effect of particle size.cmr (result file)
2C. Reaction - effect of concentration.cmr (result file)
3. Data logging Coach 6 3. Rate and order of reaction.cma (activity file)
3. Rate and order of reaction.cmr (result file)
4. Data logging Coach 6 4. Dissolving limestone.cma (activity file)
4. Dissolving limestone.cmr (result file)
5. Modelling Coach 6 5A.Non-reversible reaction A to B.cma (activity file)
5A.Non-reversible reaction A to B.cmr (result file)
5A.Non-reversible successive reactions A to B to C.cmr
(result file)
5B.Non-reversible reaction A is B + C.cma (activity
file)
5B.Non-reversible reaction C3H8 is C2H4 + CH4.cmr
(result file)
5C.Non-reversible reaction A + B is C.cma (activity
file)
5C.Non-reversible reaction 2NO + O2 is 2NO2.cmr
(result file)
6. Modelling Coach 6 6A.Reversible reactions A to B.cma (activity file)
6A.Reversible reactions N2O4_N2O.cmr (result file)
6B.Reversible reactions A is B + C.cma (activity file)
6C.Reversible reactions A + B is C.cma (activity file)
7. Modelling Coach 6 7. Crystal violet.cma (activity file)
7. Crystal violet - measurement.cmr (result file)
Chemical Reactions Module - 17
USING INSIGHT SOFTWARE
Activity Software
program
Files available
1. Data Video Insight iLOG 1. Rate of reaction of magnesium with hydrochloric
acid (sample data)
2. Data logging Insight iLOG 2. Factors affecting rates of reactions set-up
2A. Reaction - effect of temperature (sample data)
2B. Reaction – effect of particle size (sample data)
2C. Reaction - effect of concentration (sample data)
3. Data logging Insight iLOG 3. Rate and order of reaction set-up
3. Rate and order of reaction (sample data)
4. Data logging Insight iLOG 4. Dissolving limestone set-up
4. Dissolving limestone (sample data)
5. Modelling Simulation
Insight
5A. Reaction - non-reversible
5A+. Reaction - non-reversible A-B-C
5B. Reaction - non-reversible 2 PRODUCTS
5B+. Reaction - non-reversible 2 PRODUCTS - C3H8
5C. Reaction - non-reversible 2 REACTANTS
5C+. Reaction - non-reversible 2 REACTANTS - 2NO
+O2
6. Modelling Simulation
Insight
6A. Reaction – reversible
6B. Reaction - reversible 2 PRODUCTS
6C. Reaction - reversible 2 REACTANTS
7. Modelling Simulation
Insight
7. Reaction – crystal violet
7. Crystal violet experiment (sample data)
Chemical Reactions Module - 18
EQUIPMENT AND MATERIALS FOR DATA-LOGGING ACTIVITIES
Computer
Software – See table above
Interface (data-logger)
Light sensor, pressure sensor, conductivity sensor
Light source
Disposable cuvettes, syringes
test tubes with stoppers (one hole), hot plate, ice
stand, magnetic stirrer, aquarium air pump, a measuring cylinder
chemicals (see specifications in activities)
Chemical Reactions Module - 19
C. Student Activities
ACTIVITY 1. RATE OF REACTION OF MAGNESIUM
WITH HYDROCHLORIC ACID
Learning Objectives:
1. To investigate rate of reaction by using
video measurement.
Operational Skills:
Making measurements on the Video Screen
Using the Scan, Slope and Function fit options.
Procedural Skills:
Analysing data using a graph
Reading values/slopes
Evaluating measurement quality
Materials:
Video clip showing a reaction of magnesium with hydrochloric acid.
Activity method (using Coach 6):
1. In the Data-Video Window you see a video clip showing a following
experiment. In a conical flask 0.08 g magnesium reacts with dilute
hydrochloric acid of concentration 0.13 mol/dm3. During the reaction
hydrogen gas is produced. The flask is connected to an inverted measuring
cylinder in a trough of water and the produced gas is collected in the
measuring cylinder.
The initial volume of HCl is 50 cm3 and its temperature is 25oC.
2. In this video you are going to determine the volume of produced hydrogen
gas by measuring the water level in the cylinder. To indicate the water
level lightweight brown balls are used. The video is already scaled and
prepared for measurement.
3. Measure the volume of the collected gas. Plot a graph of V(H2) against
time.
APPLIED ICT TECHNOLOGY:
DATA LOGGING
STUDENT LEVEL:
AGE 15-19
RECOMMENDED SETTINGS:
STUDENT ACTIVITY IF
ENOUGH EQUIPMENT IS
AVAILABLE, OTHERWISE
TEACHER DEMONSTRATION
Chemical Reactions Module - 20
Questions and Assignments:
What does the graph tell you about the progress of reaction?
Determine how the reaction rate is changing in time.
What do you think what factors and how may affect the rate of reaction?
During the reaction of Mg and H+ the number of [H+] decreases. Based on
the rate of reaction and measured volume determine the change of
concentration [H+] during the reaction.
Analysing activities:
Magnesium reacts with dilute hydrochloric acid in a conical flask which is
connected to an inverted measuring cylinder in a trough of water. Students
follow the rate of reaction by measuring the volume of the produced gas.
The slope of the graph V(H2) is steepest at the beginning, this shows that the
reaction is fastest at the start. As the magnesium is used up, the rate falls, the
slope becomes less steep and then levels out when the reaction has stopped
(when no more gas is produced).
The reaction is exothermic, but the dilute acid is in excess and the rise in
temperature is not high. There is some acceleration of the reaction rate due to
the rise in temperature. Some students might notice the flask becoming
slightly warm and they could be asked how this would affect the rate of
reaction, and how they might adapt the experiment to make it a „fair test‟.
Change of
hydrogen gas
volume during
the reaction of
magnesium with
hydrochloric acid.
Additional, based on the rate of reaction and measured volume students can
determine the change of concentration [H+] during the reaction and compare
it with a model. Model from the activity 5A.Non-reversible reaction A to B
should be first modified to describe the reaction. Then the measured data can
be imported as background graph and comparison with the model data can be
performed.
Chemical Reactions Module - 21
ACTIVITY 2. FACTORS AFFECTING RATES OF
REACTION
Learning Objectives:
1. To investigate several factors that affect
the rate of a chemical reaction.
2. To determine the effects of concentration, surface
area and temperature on the rate of a reaction.
Operational Skills:
Connecting sensors and interfaces
Choosing logging parameters
Starting and finishing real-time logging
Using the cursor tools for obtaining measurements from the graph
Changing the designation of the graph axes
Deriving secondary data by calculation
Procedural Skills:
Evaluating measurement quality
Analysing data using graph
Reading values/slopes
Materials:
Interface (data-logger)
Pressure sensor with connecting tube
400 ml beaker
10 ml plastic syringe
test tube (borosilicate glass - Pyrex) and test tube rack
one-hole rubber bung to fit the test tube
boiling water from kettle (hot plate), crushed ice
cleaned magnesium metal strips (0.5 by 2 cm) and granular magnesium
(2g)
1.0 M hydrochloric acid (HCl)
Weighing balance
APPLIED ICT TECHNOLOGY:
DATA LOGGING
STUDENT LEVEL:
AGE 15-19
RECOMMENDED SETTINGS:
STUDENT ACTIVITY IF
ENOUGH EQUIPMENT IS
AVAILABLE, OTHERWISE
TEACHER DEMONSTRATION
Chemical Reactions Module - 22
Activity method:
I. Study the effect of temperature on the rate of reaction
1. Prepare a clean, dry test tube (of strong borosilicate glass) with a good
fitting rubber bung containing one hole. Insert a polythene tube into the
bung and use this to connect the pressure sensor to the test tube.
2. Connect the pressure sensor to the data logger interface which is already
connected to a computer.
3. Remove the bung, measure 5.0 ml of 1.0 M hydrochloric acid and add it
to the test tube.
4. Start the program logging, drop one strip of magnesium ribbon in the
test tube and replace the bung quickly. Hydrogen gas is evolved inside
the tube and its pressure is shown on the graph. At a certain pressure,
the bung will pop out of the tube and the pressure reduces to
atmospheric pressure.
5. Save the data for later analysis.
6. Empty the contents of the test tube into the sink, wash the tube with
water and dry the inside with an absorbent cloth.
7. Place the tube in a beaker containing crushed ice and filled three-
quarters full with cold water.
8. Repeat the experiment, adding acid and dropping a strip of magnesium
in as before. Observe the different graph and save the data.
9. Empty, wash and dry the tube again and place it in a beaker containing
Chemical Reactions Module - 23
recently boiled water. (Take care in handling the hot water beaker.)
10. Repeat the experiment, adding acid and dropping a strip of
magnesium in as before. Observe the different graph and save the data.
II. Study the effect of particle size of one of reactants on the rate of
reaction
1. Prepare the test tube, pressure sensor, data-logger and computer as
before.
2. Measure 5.0 ml of 1.0 M hydrochloric acid into the test tube and place the
tube in the rack.
3. Cut and weigh a cleaned magnesium strip then weigh out an equal
portion of granular magnesium.
Note: If you do not have granular magnesium, use a second, the same
weight, magnesium strip and cut it into as many small pieces as possible.
4. Start the program logging, drop the magnesium in the test tube and
replace the bung quickly.
5. Observe the new graph and save the data for later analysis.
III. Study the effect of changing the concentration of one of
reactants on the rate of reaction
1. Repeat the first experiment using only 2.5 ml of acid and adding 2.5 ml of
water to reduce the concentration.
2. Observe the new graph and save the data for analysis.
Chemical Reactions Module - 24
Questions and Assignments:
I. Study the effect of temperature on the rate of reaction
How and why would the rate of a chemical reaction change as
temperature changes?
Compare your pressure versus time graphs. At which temperature did
the reaction occur fastest? How do you know?
For each graph, measure the rate of reaction using the analysis tools in
the program. Do your results support your predictions?
II. Study the effect of particle size of one of reactants on the rate of
reaction
How and why would the rate of a chemical reaction change as the
particle size of one of the reactants changes?
Compare your pressure versus time graphs. At which particle size did the
reaction occur fastest? How do you know?
For each graph, measure the rate of reaction using the analysis tools in
the program. Do your results support your predictions?
III. Study the effect of changing the concentration of one of
reactants on the rate of reaction
How and why would the rate of a chemical reaction change as the
concentration of one of reactants changes?
Examine your pressure versus time graph. At which concentration of acid
did the reaction occur fastest? How do you know?
For each graph, measure the rate of reaction using the analysis tools in
the program. Do your results support your predictions?
Analysing activities:
In this activity students investigate several factors that affect the rate of a
simple chemical reaction.
The reaction of magnesium metal with hydrochloric acid is observed.
Mg(s) + 2HCl(aq) MgCl2(aq) + H2(g)
In this reaction, hydrogen gas is produced as a product thus pressure will
increase if the reaction container is a closed system. Pressure sensor is used
to measure the change in pressure during the reaction.
This activity consists of three parts:
I - determining how changing the temperature of the reactants influence the
rate of reaction,
II – determining how changing the particle size of one of the reactants
changes the rate of reaction.
Chemical Reactions Module - 25
III – determining how changing the concentration of one of the reactants
changes the rate of reaction.
Safety
Remind students to:
follow standard laboratory safety procedures,
be careful when handling chemicals,
wear protective glasses and aprons,
add acid to water when making dilutions,
rinse any spills with copious amounts of water (have sodium bicarbonate
available for neutralization),
not use open flames due to the flammability of hydrogen gas,
not push the rubber bung too hard into the neck of the test tube. A rise
in pressure is only needed for a few seconds to demonstrate the rate of
reactions.
Chemical Reactions Module - 26
ACTIVITY 3. RATE AND ORDER OF REACTION
Learning Objectives:
1. To introduce concept of the reaction rate.
2. To study the reaction rate during the reaction
between sodium thiosulphate and hydrochloric acid.
3. To determine the order of a reaction.
Operational Skills:
Connecting sensors and interfaces
Choosing logging parameters
Starting and finishing real-time logging
Using the cursor tools for obtaining measurements from the graph
Changing the designation of the graph axes
Deriving secondary data by calculation
Procedural Skills:
Evaluating measurement quality
Analysing data using a graph
Reading values/slopes
Materials:
Interface (data-logger)
Light source
Light sensor
Disposable cuvettes
Disposable syringes
Solutions:
10 ml of hydrochloric acid HCl (0.1 M),
10 ml of sodium thiosulphate Na2S2O3 (0.1 M).
APPLIED ICT TECHNOLOGY:
DATA LOGGING
STUDENT LEVEL:
AGE 15-19
RECOMMENDED SETTINGS:
STUDENT ACTIVITY IF
ENOUGH EQUIPMENT IS
AVAILABLE, OTHERWISE
TEACHER DEMONSTRATION
Chemical Reactions Module - 27
Activity method:
1. Use a disposable cuvette (5.0ml) to mix the solutions. Solutions will be added
together with the aid of syringes.
2. Position the cuvette as close as possible to the light sensor. It is not
necessary to use a special cuvette-holder but this would simplify the
experiment. You can also use a Colorimeter sensor.
3. Connect the light sensor to an interface.
4. Before starting the first measurement you must find a suitable distance
between the light source and the sensor. Place a cuvette filled with a clear
solution (water) in front of the light sensor and move the light source until
the signal level is about 80%. When you work with a Colorimeter sensor
choose a red light and zero its reading with a cuvette of a clear solution
(water).
5. Mix 2.5ml thiosulphate-solution and 2.5ml hydrochloric acid in the cuvette.
Start recording immediately after adding the solutions.
6. Repeat the experiment with other concentrations of sodium thiosulphate.
Questions and Assignments:
How does the appearance of the solution change during the reaction?
What does the graph tell you about the progress of reaction?
Determine the reaction rate in which certain amount of sulphur has been
formed, in other words a certain level of turbidity is reached.
(Use '1/time' as a measure for the reaction rate, do you know why?)
Repeat the experiment with other concentrations of sodium thiosulphate.
For each reaction determine the reaction rate.
How does the reaction rate depend on the sodium thiosulphate
concentration?
Determine the order of the reaction with respect to sodium thiosulphate.
How would you find the order of reaction with respect to hydrochloric acid?
Analysing activities:
Sodium thiosulphate and hydrochloric acid react to form a precipitate.
Na2S2O3 + 2 HCl SO2(g) + S(s) + 2NaCl + H2O
To determine the reaction rate the formation of sulphur during the reaction is
used.
Chemical Reactions Module - 28
A special cuvette-holder with a built-in LED light source and a place for the light sensor.
Left: Cuvette filled with a clear solution in front of the light sensor.
Right: A precipitate of sulphur forms when the chemicals mix.
The reaction time is equal to the time it takes to reach a certain level of
turbidity (a certain amount of sulphur is formed).
So therefore reaction rate = amount of sulphur formed/time
Since the amount of formed sulphur is constant for each run of the experiment
then reaction rate = constant/time which means that the reciprocal of time
(1/time) may be used as a comparative measure of the rate.
For determining the order of reaction „n‟ with respect to sodium thiosulphate,
reaction rates for different thiosulphate concentrations are determined.
The rate equation is expressed as:
r =k[HCL]m[thiosulphate]n
Assuming that concentration of HCL does not change:
nate][thiosulphconstr
Taking logarithms of both sides of the rate equation gives:
ln(r) = ln(const)+n*ln([thiosulphate])
Plotting ln(r) against ln([thiosulphate]) results in a straight line which gradient
is the order of the reaction in respect to sodium thiosulphate.
If temperature isn't a variable, it must be kept constant. The simplest solution
here is to make sure all the chemicals have been standing in the laboratory
prior to the lesson.
Safety
Be careful when handling chemicals.
Chemical Reactions Module - 29
ACTIVITY 4. DISSOLVING LIMESTONE
Learning Objectives:
1. Making visible the establishment of chemical
equilibrium.
2. Studying the effect on equilibrium by removing
one of the compounds.
3. Studying the reaction rate of the formation and
decomposition of CaHCO3.
Operational Skills:
Connecting sensors and interfaces
Choosing logging parameters
Starting and finishing real-time logging
Using the cursor tools for obtaining measurements from the graph
Changing the designation of the graph axes
Deriving secondary data by calculation
Procedural Skills:
Evaluating measurement quality
Analysing data using graph
Reading values/slopes
Materials:
Interface (data-logger)
Conductivity sensor
500ml flask
calcium carbonate (powder)
carbonated mineral water
Stand, magnetic stirrer and aquarium air pump
Activity method:
1. Connect the conductivity sensor to the input 1 of an interface.
2. Switch the conductivity sensor to 0 - 2000 μS range.
APPLIED ICT TECHNOLOGY:
DATA LOGGING
STUDENT LEVEL:
AGE 15-19
RECOMMENDED SETTINGS:
STUDENT ACTIVITY IF
ENOUGH EQUIPMENT IS
AVAILABLE, OTHERWISE
TEACHER DEMONSTRATION
Chemical Reactions Module - 30
3. Measure the conductivity of distilled water, distilled water with some
calcium carbonate powder and carbonated mineral water.
4. Pour 250ml of carbonated mineral water in a 500ml flask.
5. Place the conductivity probe in the solution.
6. Start stirring and start a measurement. After about two minutes add
some calcium carbonate powder (teaspoon full) to the mineral water.
7. To remove carbon dioxide produced during the reaction after about 10
minutes, start bubbling air through the solution.
Questions and Assignments
Explain the rise in the conductivity after adding a calcium carbonate to
mineral water.
Explain the decrease in conductivity while bubbling air through the
solution.
Perform the experiment using other sources of calcium carbonate.
The logarithm of the change in conductivity decreases almost linear.
Investigate this linearity using several sources of limestone.
Analysing activities:
The conductivity increases immediately after
adding calcium carbonate to mineral water or
bubbling carbon dioxide gas through a calcium
carbonate suspension.
If air bubbles are pumped through the solution
it removes carbon dioxide and the equilibrium
shifts to the left. The conductivity decreases
immediately.
Example data, rise in conductivity after adding
calcium carbonate powder (1.00 g CaCO3) to 200ml mineral water (Sourcy)
Chemical Reactions Module - 31
ACTIVITY 5. MODELLING NON-REVERSIBLE
REACTIONS
Learning Objectives:
1. To understand a model of a non-reversible reaction.
2. To use the model to obtain the graphs of concentrations
changes during the reaction.
3. To investigate the effect of changing initial
concentrations of reactant and product and the effect of
changing the reaction rate constant.
Operational Skills:
Manipulating model variables
Using software controls for running simulation
Modifying given model
Procedural Skills:
Analysing data using graphs
Evaluating model quality
Using models and simulations for investigations
Activities (using Simulation Insight or Insight iLog)
A. Non-reversible reaction A to B
1. Load file 5A, run the model and compare the changes in the
concentrations of A and B as shown by the graphs.
2. Assuming that at a higher temperature the reaction goes faster, k will be
larger. Alter the model to find out how this affects the graphs.
3. Predict what happens if at t = 0 the concentrations of A and B are equal.
Check your prediction by setting the initial values: A = B = 1.
APPLIED ICT TECHNOLOGY:
MODELLING
STUDENT LEVEL:
AGE 17
RECOMMENDED SETTINGS:
STUDENT ACTIVITY
Chemical Reactions Module - 32
B. Non-reversible reaction A B + C
1. Load file 5B, run the model and compare the changes in the concentrations
of A and B as shown by the graphs.
2. Assuming that at a higher temperature the reaction goes faster, k will be
larger. Alter the model to find out how this affects the graphs.
3. Predict what happens if at t = 0 the concentrations of A and B are equal.
Check your prediction by setting the initial values: A = B = 1.
C. Non-reversible reaction A + B C
1. Load file 5C, run the model and compare the changes in the concentrations
of A, B and C as shown by the graphs.
2. Compare this model with those in activities 5A and 5B and describe the
differences
3. Investigate the effect of changing the initial concentrations of A and B.
4. Assuming that at a higher temperature the reaction goes faster, k will be
larger. Alter the model to find out how this affects the graphs.
5. Extension assignment: Modify the model to represent the gas-phase oxidation of nitric oxide: 2 NO
+ O2 --> 2 NO2 (Since TWO molecules of NO react with ONE molecule of O2, the rate law
becomes r = k * [NO]^2 * [O2]).
Questions/Assignments using Coach 6:
A. Non-reversible reaction A to B
1. Assume that at time=0 there is only reactant A, ([A]=1.0 M and [B]=
0.0 M) and A will be completely transformed into B. Right click a
respective variable and define its initial value. Coefficient k is already
defined as k= 0.4.
2. Execute your model.
3. Describe the resulting graphs.
4. The diagram shows you the decrease of [A]. Predict the change of [B].
Right click the Concentration [A] and [B] diagram and select Sketch.
Draw your prediction of [B]. Press <Esc> to finish your prediction.
Explain your prediction.
5. Display a graph of the change of [B]:
Right-click the diagram and select the Create/Edit diagram option. Click
on C3 and choose Axis, Second vertical. Click OK.
6. Does the curve agree with your prediction?
Note for this reaction: Decrease of [A] = Increase of [B]
Chemical Reactions Module - 33
Explain how you can "reflect" this note in the model.
7. Assume that the reaction will be faster at a higher temperature. Which
initial value needs to be changed to simulate a reaction at a higher
temperature? Explain.
8. Change the initial value you decided that needs to be changed to
simulate a reaction at a higher temperature. How do the curves show
you that the reaction takes place faster?
9. Simulate also a reaction at a lower temperature. How do the curves show
you that the reaction takes place slower?
10. After some time [A] will be half the initial value. This time is half-life time
of [A] for this reaction. Determine in the diagram the half-life time of
[A].
11. Simulate the model using different initial values of [A]. Does the half-life
time of [A] also depends on [A]?
12. What happens if at t = 0 the concentrations of A and B are equal (e.g., A
= B = 1)? Sketch your predictions of concentrations A and B as functions
of time? Check you conclusions with the model. Extra Assignment
1. Modify your model to create a model of two successive reactions A B
C, species A reacts to give B, and B reacts to give C. Assume that the concentration of species A is decreasing at a rate r ...
... and the concentration of species B is increasing at a rate r (transforming from A) and decreasing at a rate r1 (forming C)...
... and the concentration of species C is increasing at a rate r1 (transforming from B).
The second reaction, B C, follows the rate law r1 = k1*[B]. 2. Assume an initial situation in which there is only reactant A, and A will be
completely transformed into B and B into C.
3. Display the concentration [C] on the 'Concentrations' diagram.
4. Display the rate of reaction B C on the 'Rate of reaction' diagram.
5. Predict the graphs of concentration change of [A], [B] and [C]. Explain
your reasoning.
6. Check your prediction by executing your model. Were your predictions
correct? If no, do you know why?
7. What happens if at t = 0 there is any amount of the species A and B but no
C? Discuss, explain your reasoning, predict and check.
8. What happens if at t = 0 there is any amount of the species B but no A and
C? Discuss, explain your reasoning, predict and check.
9. What happens if at t = 0 there is any amount of the species A and reaction
1 occurs at a “high” rate and reaction 2 at a “low” rate (e.g., k= 1.0 and k1
= 0.1)? Discuss, explain your reasoning, predict and check.
Chemical Reactions Module - 34
B. Non-reversible reaction A B + C
1. Compare this model with the model from the activity 5A. Describe the
differences.
2. The progress of the reaction in time is determined by the reaction rate.
Analyse the given model. Where in the model this rate is defined? How the
reaction rate is defined?
3. It the model is assumed that the initial concentration of the reactant A is
1 M and both products 0 M. Predict and sketch the change of concentration
of [A], [B] and [C] during the reaction.
4. Check your predictions by executing the model.
5. Investigate the effect of changing the initial concentrations of A, B and C.
Use the control sliders in the Animation window. In what way does the
change of initial concentrations influence the reaction rate?
6. Investigate the effect of changing k on the reaction and reaction rate. Use
the control spinner. What happens when you set higher values of k? And
lower values of k?
7. Modify your model to create a model of a crack reaction in which propane
is cracked and forms ethylene and methane
C3H8 (g) C2H4 (g) + CH4 (g)
Following tips will help you to modify existing and create a new model.
During the reaction propane is broken down into two products, ethylene
and methane, and its initial concentration decreases.
Assume that the variable [A] becomes [C3H8].
Assume that the variable [B] becomes [C2H4].
Assume that the variable [C] becomes [CH4].
Set the initial concentration of propane to 0.5 M/L and the initial
concentration of the products to 0 M/L.
Set the k value 3.28 1/s.
Check the reaction rate (the rate should be r = k * [C3H8]).
Execute your model. Simulate the model with different values of initial
concentrations of C3H8 and CH4.
C. Non-reversible reaction A + B C
1. Compare this model with the model from the activities 5A and 5 B.
Describe the differences.
2. The progress of the reaction in time is determined by the reaction rate.
Analyse the given model. Where in the model this rate is defined? From
which variable(s) does the reaction rate depend?
3. In the model it is assumed that the initial concentrations of both reactants
is 1 M and of the product 0 M. Predict and sketch the change of
Chemical Reactions Module - 35
concentration of [A], [B] and [C] during the reaction.
4. Check your predictions by executing the model.
5. Investigate the effect of changing the initial concentrations of A and B. Use
the control sliders in the Animation window. In what way does the change
of initial concentrations influence the reaction rate? And in what way the
amount of C formed during the reaction?
6. Investigate the effect of changing k on the reaction and reaction rate. Use
the control spinner. What happens when you set higher values of k? And
lower values of k?
7. Modify your model to create a model of the gas-phase oxidation of nitric
oxide: 2 NO + O2 2 NO2
From the point of view of chemical kinetics this reaction can be considered
as a termolecular reaction in which two molecules of NO and one O2 collide
and form a transient complex, which in a single step forms two molecules
of NO2. Following tips will help you to modify existing and create a new model.
Assume that the variable [A] becomes [NO].
Assume that the variable [B] becomes [O2].
Assume that the variable [C] becomes [NO2].
Assume that the initial concentrations values of the reactants are equal
to 0.001 M/L and the initial concentration of the product is 0 M/L.
Set the value of k to 400 L²/(M²s).
Double-click the Process symbol and adjust its properties:
modify, in and out, stochiometric coefficients;
modify the definition of the rate of reaction.
The reaction rate is described by: reaction rate = k*[NO]2*[O2]
(this is the first order reaction with respect to O2, and the second
order reaction with respect to NO.
Execute your model (adjust your model time!).
Simulate the model with different values of initial concentration of NO
and O2. Simulate different k-values.
Analysing activities (using Coach 6):
In these Modelling activities students:
o investigate the model and fill in initial concentrations,
o investigate the effect of changing the initial concentrations and reaction
rate coefficient,
o determine the half-life time of the reaction,
o modify model to describe a real chemical reaction.
Chemical Reactions Module - 36
A. Non-reversible reaction A to B
The model used in activity A is a simple non-reversible chemical reaction
A B of the first order. The Process element used in the model stands for the
reaction rate r which is proportional to concentration [A]:
r = k*[A] where k is reaction rate coefficient.
In extra assignment students
have to modify the model and
create a model of two
successive reactions
A B C.
B. Non-reversible reaction A B + C
This model is slightly modified compare
to model 5A, there is a second reaction
product added.
As the last assignment students have
to modify the model to create a model
of the gas-phase oxidation of nitric
oxide: 2 NO + O2 2 NO2.
Modifying the model means changing
variable names and adjusting their initial values. The reaction rate is then
automatically adjusted to r=k*[C3H8] (first order reaction). Adjusting of In and
Out coefficients of the process element is not needed since all stoichiometric
coefficients of this reaction have value 1.
C. Non-reversible reaction A + B C
This model is slightly modified compare
to model 5A, there is a second reactant
added.
As the assignment students have to
modify the model to create a model of
the gas-phase oxidation of nitric oxide:
2 NO + O2 2 NO2.
The adaptation needed for the Process element:
the reaction rate r=k*[NO]2*[O2] (first order reaction with respect to O2,
and the second order reaction with respect to NO);
In and Out coefficients to:
Coefficient [NO]=2, Coefficient [O2]=1, Coefficient [NO2]=2
Chemical Reactions Module - 37
ACTIVITY 6. MODELLING REVERSIBLE REACTIONS
Learning Objectives:
1. To understand the model of reversible reactions.
2. To use the model to obtain the graphs of concentrations
changes during the reaction.
3. To investigate the effect of changing initial
concentrations of reactant and product and the effect of
changing the reaction rate constants.
4. To understand the concept of dynamic equilibrium.
Operational Skills:
Manipulating model variables
Using software controls for running simulation
Modifying given model
Procedural Skills:
Analysing data using graphs
Evaluating model quality
Using models and simulations for investigations
Activities (using Simulation Insight or Insight iLog)
A. Reversible reaction A to B
1. If at time t = 0 only substance B is present, will the reaction take place?
What do you expect to happen to the concentration of the substance A?
2. What happens if at t = 0 the concentrations of A and B are equal (e.g., [A]
= [B] = 1) but the rate constants are different? Can you sketch the graphs
of concentrations A and B as functions of time? Alter and run the model to
check your prediction.
3. What happens if the rate constants are equal? Use the model to check your
prediction.
B. Non-reversible reaction A B + C
1. Load file 6B and run the model to observe how equilibrium becomes
established. Change the values of k1 and k2 to find out how they affect
APPLIED ICT TECHNOLOGY:
MODELLING
STUDENT LEVEL:
AGE 17
RECOMMENDED SETTINGS:
STUDENT ACTIVITY
Chemical Reactions Module - 38
the time taken to reach the equilibrium.
2. If at time t = 0 only substance A is present, will the reaction take place?
What do you expect to happen to the concentration of substances B and C?
Adjust the initial value of the concentration of B to 0 and run the model to
check your prediction.
3. What happens if at t = 0 the concentrations of A, B and C are equal (e.g.,
A = B = C = 1) but the rate constants are different? Adjust the initial
values of the model and run it to check your prediction. And what happens
if the rate constants are equal? Check and discuss.
C. Non-reversible reaction A + B C
1. Load file 6B and run the model to observe how equilibrium becomes
established. Change the values of k1 and k2 to find out how they affect
the time taken to reach the equilibrium.
2. If at time t = 0 only substance C is present, will the reaction take place?
What do you expect to happen to the concentration of substances A and B?
Adjust the initial values and run the model to check your prediction.
3. What happens if at t = 0 the concentrations of A, B and C are equal (e.g.,
A = B = C = 1) but the rate constants are different? Adjust the initial
values of the model and run it to check your prediction. And what happens
if the rate constants are equal? Check and discuss.
Questions/Assignments using Coach 6:
A. Reversible reaction A to B
1. Execute the model. After how much time the equilibrium is reached?
2. Calculate the equilibrium constant for the reaction
3. Change the values of the rate constants, kforward and kbackward, by using
control spinners in the Animation window. Check how they affect the time
taken to reach the equilibrium.
4. Change the values of concentrations [A] and [B] to check how they affect
the time taken to reach the equilibrium.
5. If at time t = 0 only species B is present, will the reaction take place? What
do you expect to happen to the concentration of the species A?
6. What happens if at t = 0 the concentrations of A and B are equal (e.g., A =
B = 1) but the rate constants are different?
Predict and sketch the graphs of concentrations A and B as functions of
time? Check you conclusions with the model.
7. And what happens if the rate constants are equal? Check and discuss.
8. Dinitrogen tetroxide N2O4 , a colourless gas, and nitrogen dioxide NO2 a
dark brown gas, exists in equilibrium with each other:
N2O4 2 NO2.
Chemical Reactions Module - 39
Adapt your model to create a model for this reaction. The following tips will
help you.
Assume that the variable [A] becomes [N2O4].
Assume that the variable [B] becomes [NO2].
Adjust properties of the forward and backward reaction by adjusting the
properties of respective Process symbols:
rforward= kforward*[N2O4]modify, Coefficients of forward reaction: In = 1, Out = 2,
kbackward= kbackward*[NO2]2
Coefficients of backward reaction In = 2, Out = 1
Assume that kforward = 3.14, kbackward = 1
Execute your model.
Calculate the equilibrium constant.
Investigate the effect of changing the initial concentrations and the
reaction time constants. Use the Simulate option.
B. Non-reversible reaction A B + C
1. Execute the model. After how much time the equilibrium is reached?
2. Calculate the equilibrium constant for the reaction.
3. Change the values of the rate constants, kforward and kbackward, by using
control spinners in the Animation window. Check how they affect the time
taken to reach the equilibrium.
4. Change the values of concentrations [A], [B] and [C] to check how they
affect the time taken to reach the equilibrium. Use the concentration
control sliders.
5. What happens if at t = 0 the concentrations of A, B and C are equal (e.g.,
A = B = C = 1) but the rate constants are different? Sketch the graphs of
concentrations A, B and C as functions of time? Check you conclusions with
the model.
6. And what happens if the rate constants are equal? Check and discuss.
Adapt your model to create a model for this reaction.
C. Non-reversible reaction A + B C
1. Execute the model. After how much time the equilibrium is reached?
2. Calculate the equilibrium constant for the reaction.
3. Change the values of the rate constants, kforward and kbackward, by using
control spinners in the Animation window. Check how they affect the time
taken to reach the equilibrium.
4. If at time t = 0 only species C is present, will the reaction take place? What
do you expect to happen to the concentration of the species A and B?
Explain your reasoning and check with the model.
Chemical Reactions Module - 40
5. Change the values of concentrations [A], [B] and [C] to check how they
affect the time taken to reach the equilibrium. Use the concentration
control sliders.
6. What happens if at t = 0 the concentrations of A, B and C are equal (e.g.,
A = B = C = 1) but the rate constants are different? Sketch the graphs of
concentrations A, B and C as functions of time? Check you conclusions with
the model. And what happens if the rate constants are equal? Check and discuss.
Analysing activities (using Coach 6):
The students in these modelling activities are invited to:
change the rate constants and discuss how the change affects the time
taken to reach the equilibrium;
choose different initial conditions and discuss what happens;
analyse specific cases of initial conditions and values for the rate constants.
A. Reversible reaction A to B
The given model describes a reversible chemical reaction
A B.
The forward reaction, A B, has a rate law rforward = kforward *[A]
and the backward, B A, has a rate law vbackward = kbackward *[B].
The equilibrium coefficient K at equilibrium is expressed as K = kforward /kbackward=[B]/[A].
As the last assignment students have to adapt the given model to describe the
equilibrium reaction: N2O4 2 NO2.
B. Non-reversible reaction A B + C
The given model describes a reversible chemical reaction A B + C. The
forward reaction, A B + C, has a rate law rforward = kforward *[A]
and the backward reaction, B + C A, has a rate law rbackward = kbackward *[B][C].
The equilibrium coefficient K at equilibrium is expressed as
K = kforward /kbackward=[B][C]/[A].
C. Non-reversible reaction A + B C
The given model describes a reversible chemical reaction A + B C.
The forward reaction, A B C, has a rate law rforward = kforward *[A][B]... and the
backward reaction, C A + B , has a rate law rbackward = kbackward *[C].
The equilibrium coefficient K at equilibrium is expressed as
K = kforward /kbackward=[C]/[A][B].
Chemical Reactions Module - 41
ACTIVITY 7. CRYSTAL VIOLET
Learning Objectives:
1. To use a model to obtain and analyse graphs of
the change of crystal violet concentration [CV] during
the reaction between crystal violet and sodium
hydroxide.
2. To compare the results calculated by the model with
the results measured during the experiment.
Operational Skills:
Using software controls for running simulation
Using the cursor tools for obtaining readings from the graph
Procedural Skills:
Analysing data using graphs
Using models and simulations for investigations
Compare the model results with the experimental measured results
Activities (using Simulation Insight or Insight iLog)
1. Analyse the model. What assumption does the model make about the rate of change of [CV]?
2. Run the model and observe the changes in the concentration of [CV] and
the rate of reaction r as shown by the graphs.
3. Use the Trial fit option (Data menu) to find out which formula describes the change of [CV]. Remember this when you compare the graph with the
experimental data.
4. Looking at the model, predict the shape of graph if you plot r against [CV].
Test your prediction by adjusting the axes to show r against [CV].
5. Load the file of experimental data and compare the results as directed.
Questions/Assignments using Coach 6:
1. Analyse the given model. Which assumption does the model contain about
the rate of change of [CV]?
2. Execute the model.
3. Import the data from the Coach Result file Crystal violet - measurement.
Use the Import Background Graph option available via the Tool menu of
APPLIED ICT TECHNOLOGY:
MODELLING
STUDENT LEVEL:
AGE 17
RECOMMENDED SETTINGS:
STUDENT ACTIVITY
Chemical Reactions Module - 42
the Diagram pane.
4. Does the calculated curve of [CV] looks like the measured one?
5. Which initial value are you allowed to change in the model to enhance the
fit?
6. Use the Simulate option, available via the Tool menu of the Modelling
window, to find a value for the best fitting curve.
7. Should the whole graph agree with the measurement results? (What do
you know about the colorimeter?) Determine the moments between which
both curves should fit.
8. What is your conclusion about the relationship between [CV] and the
reaction rate for the reaction between [CV] and [OH-]?
9. What is your conclusion about the relationship between [OH-] and the
reaction rate?
10. Create and describe the curve of -log([CV]) for the model results.
11. Also make a curve of -log([CV]) for the measurement results.
Analysing activities (using Coach 6):
In this experiment 7. Crystal violet - measurement the reaction between
crystal violet (CV) and sodium hydroxide is observed. A solution of crystal
violet (deep purple/blue) reacts with OH- and forms a colourless compound
(CVOH). A simplified version of the equation is:
CV+ + OH- CVOH
(crystal violet) (hydroxide)
Fainting of the crystal violet solution is observed with the colorimeter. The
measurement results are shown below.
Chemical Reactions Module - 43
The model simulates the change
of [CV] during the reaction
between crystal violet and
sodium hydroxide. In the model
it is assumed that that the
reaction rate r is proportional to
[CV]:
r = k*[CV].
Students must verify this assumption according to the given measurement
results.