Basic Mathematics and Physics for Undergraduate

Chemistry Students According to the Eurobachelor

Curriculum

Jens E.T. Andersena* , D. Thorburn Burnsb and P. Hub

Department of Chemistry, Technical University of Denmark, Kemitorvet building 207, DK-2800

Kgs. Lyngby, Denmark

School of Chemistry, The Queen's University of Belfast, Belfast, BT9 5AG, Northern Ireland, UK

Introduction
Many subjects of mathematics and physics are relevant to teaching analytical chemistry (AC) but a
few key topics are essential preparing students to the master level [1-4]. Mathematics and physics
are important to understand the operation of advanced apparatus and for the interpretation of data.
The overall aim of introducing 10 ECTS credit points of mathematics and 10 ECTS credit points of
physics in addition to 15 ECTS credit points for AC is to maintain the education in AC at a high
level to benefit science and the progress of AC. The European Association for Chemical and
Molecular Science Division of Analytical Chemistry (EuCheMS-DAC) have suggested a
curriculum for the bachelor degree [4].
As the language of science is mathematics, similarly physics promotes the understanding of basic
mechanisms and chemical interactions. AC requires a multidisciplinary approach to understanding
the art of quantifying chemical species in various mixtures and matrices [2]. Thus, students of
chemistry pursuing competence in AC are faced with numerous topics such as physics, computing,
interfacing, electronics etc. at a relatively high level in order to devise new methods of analysis
using advanced apparatus.

Organizing a curriculum of mathematics

The initial interest in teaching mathematics and physics arose for "self defense" reasons after it
became clear that the students could not cope with statistics of repeated measurements and
propagation of uncertainties. Items such as the Gauss law of propagation of uncertainties and its
application to analytical measurements caused them problems due to lack of knowledge of partial
derivatives. Many students were also often deficient in the physics of classical mechanics and
optics some of which also require familiarity with aspects of geometry.
Discussions with colleagues confirmed similar difficulties in teaching thermodynamics and reaction
kinetics. The items of basic mathematics and physics that chemistry staff regarded as essential for
chemistry students in the first two years of an undergraduate course were prepared. Lists from the
various areas of chemistry had 95% of the items in common. The problem of lack of adequate
background in mathematics was not unique to chemistry students in Belfast, for example, the Royal

Society of Chemistry published guidelines, Mathematics in Chemistry Degree Courses" [5], two
years later after our first course. The content was remarkably similar to our (Burns & Hu) list, thus a
national consensus existed of what was required as prior knowledge or that needed to be imparted
via remedial/revision teaching.
Given the topics, the problem to be solved was how to produce a logical sequence for the items so
as to avoid giving too much on trust and also too many back tracks to items already dealt with.
Reported here are the content sequences that were found to be effective and indications of when and
how to connect the mathematical items to specific aspects of chemistry (details of which are given
in the supplementary material). The content of each section of the proposed mathematics course
was prepared in detail and the flow of concepts through the various possible sequences of sections
examined. The sequence reported here was chosen by consensus as optimum.
Year I module, "Chemical Computation" (see Fig. 1), started with the section on stoichiometry, for
which simple algebra was a sufficient background, this was included to deal with demonstrable
weakness and/or lack of students confidence in basic chemical arithmetic. This was followed by
the basic mathematics section, then by repeated measurements and estimation of uncertainties.
Students were given exercises/problems in stoichiometry, mathematical manipulations, and the
evaluation of analytical data, prior to seminar/discussion classes on each set of topics. The
computing lectures/demonstrations and practice sessions were run in parallel to the mathematical
material and included calculations using spread sheets.

Organising the Curriculum of physics

In the recommendations by EuCheMS-DAC about essential physics for students of chemistry, it is
recognised that this subject is of considerable difficulty but recognises the necessity of physics to
the understanding of fundamental mechanisms of chemistry [6]. In order to maintain the
progression in intellectual challenges it is important to make use of the relations between physics
and chemistry when treating advanced topics. Understanding of physics relies on a simultaneous
education in mathematics and both subjects should be offered in basic modules, to shape the
students intellectual development. The 10 ECTS credit points allocated to physics imposes
limitations to the number of topics in basic modules [6, 7]. From among the wealth of available
subjects EuCheMS-DAC recommends a number of priority topics from classical mechanics, liquid-

flow dynamics, optics and electromagnetism thermodynamics, and quantum mechanics, as

indicated in the supplementary material, Tables 1-5. These topics support the understanding and
operation of modern technical apparatus and interpretation of the data.
Contemporary methods of teaching are encouraged. Lectures, seminars and practical classes should
be balanced and offered in appropriate quantities. Individual challenges, team projects, peer-review
problems, e-learning, problem-based learning and oral presentations will all assist the student
communicating results to wider audiences.

Concepts of physics essential to teaching analytical chemistry

Classical mechanics is needed for understanding statics, motions and interactions (Fig. 2). The
treatment of nature by mathematical tools provides an effective description of reality, but one which
requires much training to understand. Universities are encouraged to support the use of practical
classes, demonstrations and laboratory work that promotes the students insight to the subjects.
Teaching of mechanics offers an excellent opportunity to demonstrate the correspondence between
simple theoretical modelling and experiment. Since chemists often have to model complicated
systems of molecular interactions, it helps to understand their basics in physics, e.g. spheres rolling
on a slope or the properties of a spinning top. Such activities are encouraged despite the increase in
laboratory hours is also accompanied by an increased use of resources. Some of the concepts, such
as angular momentum and moment of inertia, apply directly to understanding of molecular motion.
Despite the obvious links to chemistry, only a limited number of subjects within liquid-flow
dynamics (Fig. 2) are normally taught to chemists. Further, as the fundamentals of liquids are
traditionally contained in chemical thermodynamics in order not to create duplication, a small
number of subjects are attached to physics, e.g. Bernouillis equation.
In order to allow insight into the world of electronics, a number of topics including
electromagnetism (Fig. 2) have to be dealt with. The reason for including electronics is to give
students skills to mend faulty electronic apparatus at a basic level, such as checking fuses, diodes,
capacitors and transistors. Further, for safety, the measurement of voltages and currents, both very
high and very low, must be taught. Finally, interfacing and automation constitute subjects of
increasing importance to AC where programming skills and software skills are also needed. In

parallel to quantum mechanics, electromagnetism is needed to understand the behaviour of

electromagnetic radiation and radioactive decay. Although magnetism is not important to chemical
reactions, it is of paramount importance to NMR spectroscopy [8], an important analytical tool.
Accordingly, topics of spin, magnetism and superconductivity should be available in optional
credits of chemistry.
In thermodynamics and statistical thermodynamics (Fig. 2), several topics can with advantage be
shared between the teaching of chemistry and of physics. The concepts of energy, heat and work are
treated similarly with properties of gases as the common points of origin. However, these concepts
may also be used to show the relations between units, which are of great importance to promote the
comprehension of new definitions of the fundamental units.
When teaching chemistry and physics, demonstrations, experiments and practices facilitate many
inherently difficult issues of understanding and give a unique opportunity to make classes
interesting and vivid. Although very demanding on resources, EucheMS-DAC supports application
of contemporary means of learning that facilitates the process of learning. Individual work in a
competitive environment benefits a scientific trial but seasoning by work in groups using
pedagogical tools promotes good profiles for future career prospects.

Conclusions
The mathematics section of the course has run with only minor modifications for 18 years. The
lectures are supported by seminars, tutorials, and sets of problems. The items needed for second
year physical chemistry, namely, group theory, vectors, matrix algebra were and are introduced as
needed within the main chemistry syllabus. The mathematics material (lecture text and copy of
slides) have also been used successfully for self-study by individual mature students on ancillary
chemistry courses. The various sections of chemical computation are now not given in a single
block, the section on stoichiometry is now included in laboratory calculations, the statistics section
is incorporated into the second year module, Instrumental Analysis. The recommended text
remains that by Scott [9] or Coclett and Doggett [10].
Teaching physics is a rewarding field of science where demonstrations may be used to demonstrate
complicated principles by relatively simple means. The proposed workload of physics may be

considered as an absolute minimum, as recommended by DAC. Universities may offer 10 ECTS

compulsory and 10 ECTS elective with a lower number of credits given to exercises [11]. However,
application of physics to the Eurobachelor curriculum requires teaching by chemists at a more
advanced level including principles of physics demonstrated by means of advanced apparatus.
Although more demanding on resources this also brings back the fun of physics. A total of 10
ECTS credits is suggested for the training of physics at the basic level with the aim however to
ensure the highest level of competence in AC. For students interested in developing their skills of
physics should be offered a platform of elective courses covering 10 ECTS credits. A large amount
of knowledge is required for the student if they intend to participate in the science of analytical
chemistry, which after all is one of the prime objectives of courses given in a university
environment. While the recommendations of mathematics are based on a course run for many years,
the recommendations on physics is built on recent experience and observations on that required for
students participation in development of analytical methodology.
Details from other academics approaches to the problems discussed are welcomed these will inform
the basis of future discussions within DAC and other interested parties about further development of
the teaching of analytical chemistry at undergraduate level.

Acknowledgements
Many thanks are due to Reiner Salzer for his encouragement, fruitful discussions and constructive
comments. The initiative of DAC Delegates for promoting the Eurobachelor Degree is gratefully
acknowledged.

References
[1] http://ectn-assoc.cpe.fr/chemistry-eurolabels/cel/3_ceb01_Introduction.htm
[2] Niessner R, Broekaert JA, Bron M, Einax J, Emons H, Haisch C, Huber C, Jakubowski N,
Knopp D, Popp J, Schaferling M. Analytical Chemistry 2008/2009, Nachrichten aus der Chemie
58:223
[3] Bologna Process (2005) http://www.ond.vlaanderen.be/hogeronderwijs/bologna/ (November
2011)

[4] Salzer R (2009), Master programs in analytical chemistry, Anal. Bioanal. Chem. 394:649
[5] R.S.C., "Mathematics in Chemistry Degree Courses", Royal Society of Chemistry, London,
(1996).
[6] Salzer R (2004) Eurocurriculum II for Analytical Chemistry approved by the Division of
Analytical Chemistry of FECS. Anal. Bioanal. Chem. 378:28
[7] Salzer R, Mitchell T, Mimero P et al (2005) Analytical chemistry in the European higher
education area. Anal. Bioanal. Chem. 381:33
[8] Jiao P, Jia Q, Randel G, Diehl B, Weaver S and Milligan G, Quantitative (1)H-NMR
Spectrometry Method for Quality Control of Aloe vera Products, J. AOAC Int. (2010) 93:842
[9] Scott SK, "Beginning Mathematics for Chemistry", Oxford University Press, Oxford, (1995).
[10] Cockett M, Doggett G, "Maths for Chemists", 2nd edition. Royal Society of Chemistry,
Cambridge (2012).
[11] http://www.kurser.dtu.dk/10020.aspx?menulanguage=en-GB

Figure 1. Year I module of mathematics for Chemistry represented by four key areas of effort. The
contact hours (black) and credits (grey) includes exercise, seminars and exams. Workload factor = 3
and one ECTS = 25 contact hour per semester week.

Figure 2. The total workload expressed in contact hours (black) and credits (grey) for a 10 point
module (workload factor = 3 and one ECTS = 25 contact hour per semester week) in the bar
diagram expresses the weighting of individual subjects, as recommended by DAC.

Supplementary Material

Comment and discussion on the individual lectures on

Mathematical Concepts

Year I Module, Chemical Computation

a) Stoichiometry (3 lectures)
Classification of reactions. Methods of balancing equations. Expression of solution
and of gaseous concentrations. Calculations involving titrations (acid-base, redox,
precipitation and complexometric), gravimetry, elemental analysis and molecular
formulae, gas laws and the Beer-Lambert Law.

b) Mathematical concepts for physical and practical chemistry (6 lectures)

Algebraic and geometrical concepts. Series. Variables. Differential calculus. Integral
calculus. Equations and Graphs.

c) Repeated measurements and estimation of errors (7 lectures)

Mean, median and mode. Histograms. Gaussian curve of error. Standard deviation
and variance. Probability. Tests of significance, t, F, (Chi)2. Law of propagation of
errors, examples including density, titrimetry, Nernst equation, Beer-Lambert law.
Regression.

d) Chemistry and Computers (10 lectures and 20 hrs. workshops)

Detailed Lecture Contents, Comments and Discussion for

Mathematical Concepts for Physical and Practical Chemistry
10

Lecture 1
Topics in detail
a) aims
b) Physical Quantities, units, quantity calculus, dimensional analysis
c) definition and use of logarithms
d) definition of factorials
e) tabulation of data, labeling axes of graphs

Comments and discussion

a) The first point made was to explain the aim of the set of lectures, to
revise/consolidate/outline the minumum amout of mathematics required in the first
two years of a degree course in chemistry. Stress that the material was not difficult
and a little could be made to go a long way.
b) Explain, with examples, that, a physical quantity = numerical value x unit, and that
the units are manipulated by the rules of simple algebra.
List the 7 SI base units and give their definitions in full and their appoved symbols.
Define some of the derived units e.g. the standard atmosphere, the calorie and the
litre.
Introduce the IUPAC books of units, symbols and nomenclature for physical and for
analytical chemistry.
Rearrange the equation for quantity, physical quantity/unit = numerical value,
to permit taking of logarithms, which is only possible for a pure number.
Note, due to the use of electronic calculators for multiplication and division at school
level many students know little, if anything, about logarithms and their uses.

11

c) Define a logarithm, show their use for multiplication, division and powers, and
how to change their base.
d) Factorials were introduced as a convenient short hand way of writing down an
item, a number sequence, that occurs quite frequently in physical science.
e) Tabulation appears early, to facilitate the practical course. State the basic rule,
when tabulating data and labeling graphs use the quotient of physical quantity and
unit. Give as example logeP vis 1/T, stress that the slope of the graph = -L/R is a
number, i.e. the units of L and R cancel.
Lastly, to illustrate dimensional analysis, evaluate the gas constant R in a variety of units from
R = PV/nT.

Lecture 2
Topics in detail
a) Some geometrical items
i) use of triangular graphs
ii) definition of circular and solid angles
iii) deduction of the inverse square law
b) Series
i) why needed
ii) geometric seriess
iii) exponential series
iv) binomial series
v) logarithmic series
c) Dependent and independent variables

Comments and discussion

12

a) i) is needed for 3 component phase rule diagrams. The properties of

an equilateral triangle, the sum of the relative coordinates of a point
= 1, neatly fits the sum of the mole fractions for 3 components.
ii) introduce angles in radians and define solid angle.
iii) show that the inverse law follows from the definition of solid
angle for a point source of flux (for electical, magnetic and light flux).
b) i) needed to evaluate , e, sin etc. as they are not expressable by a closed
function.
ii) S = 1 + x + x2....., how to sum. Note, students will meet this series later, in the
quantum theory of specific heats.
iii) Definition of ex. Hence the need to explain factorial terminology
earlier (lecture 1). That ex has the unique property of being
unchanged upon differentiation. It reappears like the "pheonix".
This is the only gap in the logic as the student needs to know or
be told that dy/dx = nxn-1 for y = xn.
iv) state that the binomial coefficients appear in the patterns seen
in NMR and ESR spectra.
Use of (1+x)n = 1+nx as a useful aproximation, if x is small.

v) deduce the series for loge(1+x) and loge(1-x).

c) Explain that an independent variable is one that can have any value.
Ilustrations, expansion of a metal bar, volume of a gas depends on T
and on P.
Deduce the phase rule, F = C - P + 2.
Discuss the choice between (P,T) and (Vm,T) as the independent
variables in physical chemistry:
13

P,T

Vm,T

experiments are easy if P is fixed

theory is easier if V is fixed

H and G give simplest equations if U and A give simplest equations if

P and T are the variables

Vm and T are the variables

Lecture 3
Topics
Differential Calculus
i) why needed
ii) notations
iii) dy/dx by first principles for y = xn
iv) logarithmic functions
v) derivative of a function of a function
vi) lists of standard forms of derivatives
vii) maxima, minima and points of inflextion
viii) representation of natural laws by differential equations and the
need for integration to compare experiment with theory.

Comments and discussion

i) to relate experimental facts to theory. Experiments when the
properties of a system vary with time, pressure, temperature,
concentration, surface area etc.
ii) , , d, ,

14

dy/dx, y', y*
Simple examples of y changing with time,
delta(distance)/d time = velocity
iii) - vii) quite fast, single examples.
viii) Give examples with which they will be familiar,
Hookes Law,
Radioactive decay etc.

Lecture 4
Topics in detail
Partial Differentiation
i) demonstration of the concept via changes of the area of a rectangle
ii) symbols and their meaning
iii) exact differential equations in chemical thermodynamics
iv) order of differentiation
v) cross differentiation.
Comments and discussion
In a similar manner to the material in lecture 3. In iii) the main items were Gibb's
eqations and Maxwell's relations.

Lecture 5
Topics in detail
a) Integration
i) limit of a sum or the inverse of differentiation
ii) indefinite and definite integrals
iii) tables of standard forms
15

b) Partial Fractions
i) factorisation of algebraic functions to match standard forms prior to integation
ii) examples from reaction kinetics
Comment
In a similar manner and depth as in lecture 3.

Lecture 6
Topics
a) Rearranging equations prior to plotting graphs
b) "Games" with the equations of state for a perfect gas

Comments and discussion

The aim was to build confidence in the manipulation of equations. Particularly to
manipulate to produce fuctions to plot to yield straight lines or to make explicit the
variable in which you are, or might be, interested.

a) Two or three examples chosen from:

i) Langmiur's isotherm
ii) Kohlrauch's law
iii) Debye equation for molecular dipoles
iv) conductance of a weak electrolyte
v) osmotic pressure of a solution of macromolecules
vi) viscosity of polymer solutions.

b) The 3 tasks were:

16

i) If PV = nRT,
show (2P/TV)V = (2P/VT)T.
ii) If f(P,V,T) = 0,
show (dV/dT)P = - (P/T)V/(P/V)T.
iii) For a perfect gas, PV = nRT,
show dP/P = dT/T - dV/V

Conclusion and outcomes

The mathematics section of the course has run with only minor modifications for 18
years. The lectures are supported by sets of problems discussed seminars (3) and
small group tutorial (2). The items needed for second year physical chemistry,
namely, group theory, vectors, matrix algebra were and are introduced as needed
within the main syllabus.

The mathematics material (lecture text and overheads/Powerpoint) have also been
used successfully for self-study by individual mature students on ancillary chemistry
courses.

The various sections of chemical computation are not now given in a single block, the
section on stoichiometry is now included in laboratory calculations, the statistics
section incorporated into the second year module, Instrumental Analysis. The
recommended text remains that by Scott.

17

Table 1. Overview of subjects divided in two categories of priority with main focus on modeling
for a 3.6 CP module/30 contact hours in Mechanics of the EurobachelorTM in AC.
HIGH PRIORITY

LOWER PRIORITY

Forces, vectors and scalars

Relativity

Newtons laws

Doppler effect

Kinematics

Dynamics

Work

Stress

Velocity

Strain

Accelerations

....

Momentum

Angular momentum

Moment of inertia

Kinetic energy

Potential energy

Pendulum and oscillations

Torsion and rotation

Collisions

Gravitation

18

Table 2. Overview of subjects with main focus on chromatography for a 1.4 CP module/12 contact
hours in liquid-flow dynamics of the EurobachelorTM in AC.

Ideal liquids

Pressure

Viscosity

Viscous flow

Diffusion

Bernoullis equation

Boundary layers

Hagen-Poiseuille flow

Surface tension

19

Table 3. Overview of subjects divided in two categories of priority with main focus on detectors for
a 1.9 CP module/16 contact hours in Electromagnetism of the EurobachelorTM in AC.
HIGH PRIORITY

LOW PRIORITY

Electrostatics

Resistor

Maxwells equations

Oersted

Gauss law for magnetism

Tesla

Capacitor

Biot-Savart

Transistor

Dielectric constant

Diamagnetism

Superconductivity

Paramagnetism

20

Table 4. List of subjects with main focus on gases and units for a 0.6 CP module/5 contact hours in
thermodynamics of the EurobachelorTM in AC.

Work

Heat

Energy

Gases

Boltzmann statistics

Fermi-dirac statistics

Rotational energy

Vibrational energy

Entropy and likelyhood

Temperature

21

Table 5. List of subjects divided into two categories of priority with main focus on spectrometry for
a 2.4 CP module/20 contact hours in Quantum Mechanics of the EurobachelorTM in AC. Some of
the subjects of lower priority are found in basic courses of AC.
HIGH PRIORITY

LOWER PRIORITY

Planck's law

Heisenberg uncertainty principle

Quantum numbers

Radiation

Spin

Scattering

Bohr atomic model

Structure of matter

Rydbergs formula

Crystallography

Waves and particles

Small molecule models

Schrdinger's equation

The four fundamental forces

Wave functions

Synchrotron

Single atom models

Black body radiation

Periodic table

Compton effect

Diffraction

Millikans experiment

Elementary particles

Franck-Hertz experiment

Fotoelectric effect

Stern-Gerlach's experiment

Nuclear physics

Spin-orbit coupling

22

23