Energy and Change

CHEM10212 Energy and Change 10 Semester 2 Undergraduate Level 1 Frederick Currell Unit coordinator 1 FHEQ level (Framework for Higher Education Qualifications) ' First part HE study/Bachelors ' European Credit Transfer & Accumulation System Rating : 5.0 The components of the course are:Reflection on prior learning: the 1st Law of thermodynamics: internal energy, heat, work, enthalpy and heat capacity2nd Law of thermodynamics: entropy, spontaneous processes and Gibbs energy; chemical potential; equilibrium constant; the 3rd Law of thermodynamicsReaction kinetics: elementary reactions, rate laws, order of reaction, parallel and consecutive reactions, rate determining step, the steady state approximation, Arrhenius equationIntroduction to quantum mechanics: wave-particle duality, wavefunctions, probability interpretation of wavefunctions, observables and operators, eigenvalue equations, the Schrödinger Equation; four exact solutions to the Schrodinger EquationMolecular spectroscopy: the Born-Oppenheimer approximation, transitions between energy levels, quantum mechanical selection rules, quantisation of energy levels for nuclear motion, pure rotational spectroscopy, the harmonic oscillator, rotational and vibrational absorption spectra of small molecules The components of the course are:Reflection on prior learning: the 1st Law of thermodynamics: internal energy, heat, work, enthalpy and heat capacity.2nd Law of thermodynamics: entropy, spontaneous processes and Gibbs energy; chemical potential; equilibrium constant; the 3rd Law of thermodynamics.Reaction kinetics: elementary reactions, rate laws, order of reaction, parallel and consecutive reactions, rate determining step, the steady state approximation, Arrhenius equation.Introduction to quantum mechanics: wave-particle duality, wavefunctions, probability interpretation of wavefunctions, observables and operators, eigenvalue equations, the Schrödinger Equation; four exact solutions to the Schrodinger Equation.Molecular spectroscopy: the Born-Oppenheimer approximation, transitions between energy levels, quantum mechanical selection rules, quantisation of energy levels for nuclear motion, pure rotational spectroscopy, the harmonic oscillator, rotational and vibrational absorption spectra of small molecules  Course unit aims:<ul><li>Introduce the physical principles underlying all chemical phenomena.</li><li>Lay the foundations of a knowledge and understanding of physical chemistry, which will permit rapid progress to advanced topics in subsequent years of the course.</li><li>Introduce and develop those aspects of physical chemistry related to quantum mechanical models of spectroscopy and electronic structure, and the thermodynamic and kinetic governance of chemical processes.</li></ul> On successful completion of the course students should be able to:Apply basic knowledge and principles to describe and rationalise chemical change in clearly defined situations in terms of energetics and rates.Describe and rationalise the interaction of light with atoms and molecules in terms of quantised energy levels with the specific learning outcomes: ILO1 explain the nature of the First Law ILO2 perform calculations using U, q, w, ΔH ILO3 explain the nature of the Second Law ILO4 perform calculations using ΔH, ΔG, ΔS etc. ILO5 describe the concept of chemical potential ILO6 describe the relationship between ΔS, ΔG and K ILO7 explain the nature of the Third Law ILO8 describe and explain rate laws for 0th, 1st and 2nd order reactions ILO9 analyse kinetic data in order to extract reaction order, rate constants and activation energy ILO10 explain how observable quantities can be obtained from wavefunctions via the application of quantum mechanical operators ILO11 apply the Schrodinger equation to simple wavefunctions in order to derive energy levels for the particle in a box, particle on a ring, particle on a sphere, and the simple harmonic oscillator ILO12 explain the basis of the Born-Oppenheimer approximation and its use in the simplification of molecular wavefunctions into nuclear and electronic terms ILO13 explain how selection rules are obtained from a quantum mechanical approach to transitions between energy levels ILO14 describe the basis of rotational and vibrational spectra of molecules using quantum mechanical principles ILO15 analyse rotational and vibrational spectra to extract spectral parameters such as B and ω ILO16 determine molecular parameters such as bond lengths and force constants from spectroscopic data     The following transferable skills will need to be used by students in order to complete this unit successfully: <ul><li>Develop the following transferable skills: analytical, investigative, problem solving, numerical and mathematical</li><li>Understand the physical principles underlying most chemical phenomena</li><li>Handle mathematical models of the physical world</li><li>Understand and manipulate units  </li></ul> The First Law of Thermodynamics and U, q, w, ΔH The Second Law of Thermodynamics and ΔH, ΔG, ΔS The concept of chemical potential The relationship between ΔS, ΔG and K The Third Law of Thermodynamics An introduction to chemical reaction rates Rate laws for 0th, 1st and 2nd order reactions The determination of reaction order, rate constants and activation energy Observable quantities that can be obtained from wavefunctions via the application of quantum mechanical operators Application of the Schrodinger equation to simple wavefunctions in order to derive energy levels for the particle in a box, particle on a ring, particle on a sphere, and the simple harmonic oscillator The basis of the Born-Oppenheimer approximation and its use in the simplification of molecular wavefunctions into nuclear and electronic terms Selection rules from a quantum mechanical approach to transitions between energy levels The basis of rotational and vibrational spectra of molecules using quantum mechanical principles The extraction of spectral parameters such as B and ω from rotational and vibrational spectra How to determine molecular parameters such as bond lengths and force constants from spectroscopic data   1 Written exam 100% Model solutions and real-time feedback in tutorials and lecture workshops Worked examples in lectures Question discussion boards Online support materials, include test exercises (formative assessments) that allow students to engage in problem-solving activities, with the provision of solutions and feedback. Peer feedback during PASS sessions Discussion of a specimen examination paper    N Chemical Structure & Reactivity, Keeler and Wothers, OUP, ISBN 978-0199289301Physical Chemistry, Atkins, Oxford University Press, ISBN 0-19-850102-1Book chapters, review articles, and further references available online through the library. These will be provided during the course.   Lectures 19 Practical classes & workshops 3 Supervised time in studio/wksp 5 Tutorials 3 0 70