CODE  CHE1215  
TITLE  Methods of Chemical Calculations  
LEVEL  01  Year 1 in Modular Undergraduate Course  
ECTS CREDITS  6  
DEPARTMENT  Chemistry  
DESCRIPTION  1. Algebra and coordinate geometry: Elementary algebra  Evaluation of expressions: brackets, factorising, solving quadratic equations, solving simultaneous equations, partial fractions, inequalities, sigma and pi notation; Functions: trigonometric, exponential, logarithmic, inverse functions; Real and Complex numbers; Essential coordinate geometry; series. 2. Calculus (Theory): Differentiation: Differentiation of basic functions, product rule, quotient rule, minima and maxima, function of a function, chain rule, curve sketching and essential coordinate geometry, complex numbers, Maclaurin and Taylor Series. Integration: Integration of basic functions. Integration by substitution, integration by parts, finite integration, numerical integration. Functions of several variables and partial differentiation. Differential equations: First and second order differential equation, boundary conditions. 3. Calculus (Applications): Application of differentiation to locate and identify turning points. The role of calculus in thermodynamics. The use of integration to calculate pV work (i.e. to find the area under pV graphs). Integration as a means to obtain a 'measurable' change in a quantity, Delta_x, from infinitesimally small changes, dx. Partial differentiation and state functions. The use of partial derivatives to differentiate expressions of the sort G = H  TS, and then use these to find how, for example, G varies with T at constant p. The role of differential equations in: Chemical kinetics; Quantum mechanics. 4. Vectors, Matrices and determinants: Notation, vectors and scalars, basic vector and matrix algebra, vectors, elementary matrix operations and properties, determinants, the matrix inverse, transformations, eigenvalues and eigenvectors. Applications. 5. Mathematics through computers: Plotting of curves, data analysis, etc Studyunit Aims: To equip chemistry students with the calculations and mathematical toolkit required to enable them follow mainstream chemistry courses with profit. Learning Outcomes: 1. Knowledge & Understanding: By the end of the studyunit the student will be able to: a. Understand how to extract information from expressions that involve commonly encountered mathematical functions; b. Differentiate functions of single and several variables; c. Integrate equations that are normally encountered in chemical problems, in particular the SWE in a 1D box and rate laws. 2. Skills: By the end of the studyunit the student will be able to: a. Successfully tackle most types of calculations and derivations that are normally encountered in undergraduate chemistry courses. Main Text/s: Essential Mathematics for Chemists, Pearson Education Ltd., by J. Gormally Maths for Chemists Vol. 1 & 2 (RSC Tutorial Chemistry Texts) by Martin C.R. Cockett and Graham Doggett Mathematics: The Core Course for ALevel by L. Bostock and S. Chandler Supplementary readings: The Chemistry Maths Book (OUP) by Eric Steiner Atkins P.W., Physical Chemistry 

STUDYUNIT TYPE  Lecture and Tutorial  
METHOD OF ASSESSMENT 


LECTURER/S  Luke Collins 

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The availability of optional units may be subject to timetabling constraints. Units not attracting a sufficient number of registrations may be withdrawn without notice. It should be noted that all the information in the description above applies to studyunits available during the academic year 2021/2. It may be subject to change in subsequent years. 