CHEM20212
Core Physical Chemistry
10
Semester 2
Undergraduate
Level 2
Samuel Cobb
Unit coordinator
Department of Chemistry
1
FHEQ level (Framework for Higher Education Qualifications) ' Middle part of Bachelors '
European Credit Transfer & Accumulation System Rating : 5.0
<div class="OutlineElement Ltr SCXW190813377 BCX8" style="-webkit-tap-highlight-color:transparent;-webkit-text-stroke-width:0px;-webkit-user-drag:none;background-color:rgb(255, 255, 255);clear:both;color:rgb(0, 0, 0);cursor:text;direction:ltr;font-family:"Segoe UI", "Segoe UI Web", Arial, Verdana, sans-serif;font-size:12px;font-style:normal;font-variant-caps:normal;font-variant-ligatures:normal;font-weight:400;letter-spacing:normal;margin:0px;orphans:2;overflow:visible;padding:0px;position:relative;text-align:start;text-decoration-color:initial;text-decoration-style:initial;text-decoration-thickness:initial;text-indent:0px;text-transform:none;user-select:text;white-space:normal;widows:2;word-spacing:0px;"><p class="Paragraph SCXW190813377 BCX8" style="-webkit-tap-highlight-color:transparent;-webkit-user-drag:none;background-color:transparent;border-left:0.666667px solid rgb(0, 0, 0);border-right:0.666667px solid rgb(0, 0, 0);border-top:0.666667px solid rgb(0, 0, 0);color:windowtext;font-kerning:none;font-style:normal;font-weight:normal;margin:2px 0px 0px;overflow-wrap:break-word;padding:1.33333px 8px 1.33333px 5.33333px;text-align:left;text-indent:0px;user-select:text;vertical-align:baseline;white-space:pre-wrap;" data-ccp-border-bottom="0.6666666666666666px solid #000000" data-ccp-padding-bottom="1.3333333333333333px" paraid="1734393809" paraeid="{2b6c14cf-148c-4603-9efc-255ad85c8c8f}{7}"><span style="color:rgb(0,0,0);"><span class="TextRun SCXW190813377 BCX8 NormalTextRun" style="-webkit-tap-highlight-color:transparent;-webkit-user-drag:none;font-family:"Microsoft Sans Serif", "Microsoft Sans Serif_EmbeddedFont", "Microsoft Sans Serif_MSFontService", sans-serif;font-size:11pt;font-variant-ligatures:none !important;line-height:17.2667px;margin:0px;padding:0px;user-select:text;" data-contrast="none" xml:lang="EN-GB" lang="EN-GB">This unit covers core concepts in physical chemistry and is partitioned into 3 sections, one focused on the thermodynamics of solutions and mixtures, and electrochemistry, one on the fundamentals of electronic structure theory and one on the methods and application of computational chemistry.</span><span class="EOP SCXW190813377 BCX8" style="-webkit-tap-highlight-color:transparent;-webkit-user-drag:none;font-family:"Microsoft Sans Serif", "Microsoft Sans Serif_EmbeddedFont", "Microsoft Sans Serif_MSFontService", sans-serif;font-size:11pt;line-height:17.2667px;margin:0px;padding:0px;user-select:text;" data-ccp-props="{"335572071":4,"335572072":1,"335572073":4278190080,"335572075":4,"335572076":6,"335572077":4278190080,"335572079":4,"335572080":1,"335572081":4278190080,"335572083":4,"335572084":4,"335572085":4278190080,"469789798":"single","469789802":"single","469789806":"single","469789810":"single"}"> </span></span></p></div><div class="OutlineElement Ltr SCXW190813377 BCX8" style="-webkit-tap-highlight-color:transparent;-webkit-text-stroke-width:0px;-webkit-user-drag:none;background-color:rgb(255, 255, 255);clear:both;color:rgb(0, 0, 0);cursor:text;direction:ltr;font-family:"Segoe UI", "Segoe UI Web", Arial, Verdana, sans-serif;font-size:12px;font-style:normal;font-variant-caps:normal;font-variant-ligatures:normal;font-weight:400;letter-spacing:normal;margin:0px;orphans:2;overflow:visible;padding:0px;position:relative;text-align:start;text-decoration-color:initial;text-decoration-style:initial;text-decoration-thickness:initial;text-indent:0px;text-transform:none;user-select:text;white-space:normal;widows:2;word-spacing:0px;"><p class="Paragraph SCXW190813377 BCX8" style="-webkit-tap-highlight-color:transparent;-webkit-user-drag:none;background-color:transparent;border-left:0.666667px solid rgb(0, 0, 0
<div class="OutlineElement Ltr SCXW101812428 BCX8" style="-webkit-tap-highlight-color:transparent;-webkit-text-stroke-width:0px;-webkit-user-drag:none;background-color:rgb(255, 255, 255);clear:both;color:rgb(0, 0, 0);cursor:text;direction:ltr;font-family:"Segoe UI", "Segoe UI Web", Arial, Verdana, sans-serif;font-size:12px;font-style:normal;font-variant-caps:normal;font-variant-ligatures:normal;font-weight:400;letter-spacing:normal;margin:0px;orphans:2;overflow:visible;padding:0px;position:relative;text-align:start;text-decoration-color:initial;text-decoration-style:initial;text-decoration-thickness:initial;text-indent:0px;text-transform:none;user-select:text;white-space:normal;widows:2;word-spacing:0px;"><p class="Paragraph SCXW101812428 BCX8" style="-webkit-tap-highlight-color:transparent;-webkit-user-drag:none;background-color:transparent;border-left:0.666667px solid rgb(0, 0, 0);border-right:0.666667px solid rgb(0, 0, 0);border-top:0.666667px solid rgb(0, 0, 0);color:windowtext;font-kerning:none;font-style:normal;font-weight:normal;margin:2px 0px 0px;overflow-wrap:break-word;padding:1.33333px 8px 1.33333px 5.33333px;text-align:left;text-indent:0px;user-select:text;vertical-align:baseline;white-space:pre-wrap;" data-ccp-border-bottom="0.6666666666666666px solid #000000" data-ccp-padding-bottom="1.3333333333333333px" paraid="1734393809" paraeid="{2b6c14cf-148c-4603-9efc-255ad85c8c8f}{7}"><span style="color:rgb(0,0,0);"><span class="TextRun SCXW101812428 BCX8 NormalTextRun" style="-webkit-tap-highlight-color:transparent;-webkit-user-drag:none;font-family:"Microsoft Sans Serif", "Microsoft Sans Serif_EmbeddedFont", "Microsoft Sans Serif_MSFontService", sans-serif;font-size:11pt;font-variant-ligatures:none !important;line-height:17.2667px;margin:0px;padding:0px;user-select:text;" data-contrast="none" xml:lang="EN-GB" lang="EN-GB">This unit covers core concepts in physical chemistry and is partitioned into 3 sections, one focused on the thermodynamics of solutions and mixtures, and electrochemistry, one on the fundamentals of electronic structure theory and one on the methods and application of computational chemistry.</span><span class="EOP SCXW101812428 BCX8" style="-webkit-tap-highlight-color:transparent;-webkit-user-drag:none;font-family:"Microsoft Sans Serif", "Microsoft Sans Serif_EmbeddedFont", "Microsoft Sans Serif_MSFontService", sans-serif;font-size:11pt;line-height:17.2667px;margin:0px;padding:0px;user-select:text;" data-ccp-props="{"335572071":4,"335572072":1,"335572073":4278190080,"335572075":4,"335572076":6,"335572077":4278190080,"335572079":4,"335572080":1,"335572081":4278190080,"335572083":4,"335572084":4,"335572085":4278190080,"469789798":"single","469789802":"single","469789806":"single","469789810":"single"}"> </span></span></p></div><div class="OutlineElement Ltr SCXW101812428 BCX8" style="-webkit-tap-highlight-color:transparent;-webkit-text-stroke-width:0px;-webkit-user-drag:none;background-color:rgb(255, 255, 255);clear:both;color:rgb(0, 0, 0);cursor:text;direction:ltr;font-family:"Segoe UI", "Segoe UI Web", Arial, Verdana, sans-serif;font-size:12px;font-style:normal;font-variant-caps:normal;font-variant-ligatures:normal;font-weight:400;letter-spacing:normal;margin:0px;orphans:2;overflow:visible;padding:0px;position:relative;text-align:start;text-decoration-color:initial;text-decoration-style:initial;text-decoration-thickness:initial;text-indent:0px;text-transform:none;user-select:text;white-space:normal;widows:2;word-spacing:0px;"><p class="Paragraph SCXW101812428 BCX8" style="-webkit-tap-highlight-color:transparent;-webkit-user-drag:none;background-color:transparent;border-left:0.666667px solid rgb(0, 0, 0);border-right:0.666667px solid rgb(0, 0, 0);color:windowtext;font-kerning:none;font-style:normal;font-weight:normal;margin:0px;overflow-wrap:break-word;padding:1.33333px 8px 1.33333px 5.33333px;text-align:left;text-indent:0px;user-select:text;vertical-align:baseline;white-space:pre-wrap;" data-ccp-border-top="0.6666666666666666px solid #000000" data-ccp-padding-top="1.3333333333333333px" data-ccp-border-bottom="0.6666666666666666px solid #000000" data-ccp-padding-bottom="1.3333333333333333px" paraid="160071208" paraeid="{2b6c14cf-148c-4603-9efc-255ad85c8c8f}{13}"><span style="color:rgb(0,0,0);"><span class="EOP SCXW101812428 BCX8" style="-webkit-tap-highlight-color:transparent;-webkit-user-drag:none;font-family:"Microsoft Sans Serif", "Microsoft Sans Serif_EmbeddedFont", "Microsoft Sans Serif_MSFontService", sans-serif;font-size:11pt;line-height:17.2667px;margin:0px;padding:0px;user-select:text;" data-ccp-props="{"335572071":4,"335572072":1,"335572073":4278190080,"335572075":4,"335572076":6,"335572077":4278190080,"335572079":4,"335572080":1,"335572081":4278190080,"335572083":4,"335572084":4,"335572085":4278190080,"469789798":"single","469789802":"single","469789806":"single","469789810":"single"}"> </span></span></p></div><div class="OutlineElement Ltr SCXW101812428 BCX8" style="-webkit-tap-highlight-color:transparent;-webkit-text-stroke-width:0px;-webkit-user-drag:none;background-color:rgb(255, 255, 255);clear:both;color:rgb(0, 0, 0);cursor:text;direction:ltr;font-family:"Segoe UI", "Segoe UI Web", Arial, Verdana, sans-serif;font-size:12px;font-style:normal;font-variant-caps:normal;font-variant-ligatures:normal;font-weight:400;letter-spacing:normal;margin:0px;orphans:2;overflow:visible;padding:0px;position:relative;text-align:start;text-decoration-color:initial;text-decoration-style:initial;text-decoration-thickness:initial;text-indent:0px;text-transform:none;user-select:text;white-space:normal;widows:2;word-spacing:0px;"><p class="Paragraph SCXW101812428 BCX8" style="-webkit-tap-highlight-color:transparent;-webkit-user-drag:none;background-color:transparent;border-left:0.666667px solid rgb(0, 0, 0);border-right:0.666667px solid rgb(0, 0, 0);color:windowtext;font-kerning:none;font-style:normal;font-weight:normal;margin:0px;overflow-wrap:break-word;padding:1.33333px 8px 1.33333px 5.33333px;text-align:left;text-indent:0px;user-select:text;vertical-align:baseline;white-space:pre-wrap;" data-ccp-border-top="0.6666666666666666px solid #000000" data-ccp-padding-top="1.3333333333333333px" data-ccp-border-bottom="0.6666666666666666px solid #000000" data-ccp-padding-bottom="1.3333333333333333px" paraid="1892183495" paraeid="{2b6c14cf-148c-4603-9efc-255ad85c8c8f}{17}"><span style="color:rgb(0,0,0);"><span class="TextRun SCXW101812428 BCX8 NormalTextRun" style="-webkit-tap-highlight-color:transparent;-webkit-user-drag:none;font-family:"Microsoft Sans Serif", "Microsoft Sans Serif_EmbeddedFont", "Microsoft Sans Serif_MSFontService", sans-serif;font-size:11pt;font-variant-ligatures:none !important;line-height:17.2667px;margin:0px;padding:0px;user-select:text;" data-contrast="none" xml:lang="EN-GB" lang="EN-GB">In this module, you will gain an understanding of the fundamental properties of solutions, from ideal mixtures through to highly non-ideal electrolyte solutions. You will also gain familiarity with modern electrochemical cells and applications, including pH meters, batteries and electrocatalysis. </span><span class="EOP SCXW101812428 BCX8" style="-webkit-tap-highlight-color:transparent;-webkit-user-drag:none;font-family:"Microsoft Sans Serif", "Microsoft Sans Serif_EmbeddedFont", "Microsoft Sans Serif_MSFontService", sans-serif;font-size:11pt;line-height:17.2667px;margin:0px;padding:0px;user-select:text;" data-ccp-props="{"335572071":4,"335572072":1,"335572073":4278190080,"335572075":4,"335572076":6,"335572077":4278190080,"335572079":4,"335572080":1,"335572081":4278190080,"335572083":4,"335572084":4,"335572085":4278190080,"469789798":"single","469789802":"single","469789806":"single","469789810":"single"}"> </span></span></p></div><div class="OutlineElement Ltr SCXW101812428 BCX8" style="-webkit-tap-highlight-color:transparent;-webkit-text-stroke-width:0px;-webkit-user-drag:none;background-color:rgb(255, 255, 255);clear:both;color:rgb(0, 0, 0);cursor:text;direction:ltr;font-family:"Segoe UI", "Segoe UI Web", Arial, Verdana, sans-serif;font-size:12px;font-style:normal;font-variant-caps:normal;font-variant-ligatures:normal;font-weight:400;letter-spacing:normal;margin:0px;orphans:2;overflow:visible;padding:0px;position:relative;text-align:start;text-decoration-color:initial;text-decoration-style:initial;text-decoration-thickness:initial;text-indent:0px;text-transform:none;user-select:text;white-space:normal;widows:2;word-spacing:0px;"><p class="Paragraph SCXW101812428 BCX8" style="-webkit-tap-highlight-color:transparent;-webkit-user-drag:none;background-color:transparent;border-left:0.666667px solid rgb(0, 0, 0);border-right:0.666667px solid rgb(0, 0, 0);color:windowtext;font-kerning:none;font-style:normal;font-weight:normal;margin:0px;overflow-wrap:break-word;padding:1.33333px 8px 1.33333px 5.33333px;text-align:left;text-indent:0px;user-select:text;vertical-align:baseline;white-space:pre-wrap;" data-ccp-border-top="0.6666666666666666px solid #000000" data-ccp-padding-top="1.3333333333333333px" data-ccp-border-bottom="0.6666666666666666px solid #000000" data-cc
<p>The unit aims to: </p><p>-Progress your understanding of the core concepts of physical and theoretical chemistry, especially solutions and electrochemistry, electronic structure and computational chemistry </p><p>-To foster related skills in practical physical chemistry. </p>
<p>Unit-level ILOs</p><p>At the end of this module, students should be able to:</p><ul><li>describe the thermodynamic principles of solutions and practical applications to electrochemistry using the concepts of physical and theoretical chemistry</li><li>evaluate quantitatively the properties of solutions and electrochemical systems using these concepts</li><li>use basic quantum mechanical principles to explain the electronic structures and properties of multi-electron atoms and molecules</li><li>describe the fundamental principles of common computational methods of quantum chemistry and molecular simulation</li><li>apply these principles along with typical computational chemistry software to evaluate the properties of molecules. </li></ul>
<p><em>Students should be able to:</em></p><ul> <li> Understand the basic thermodynamic principles of solutions and practical applications to electrochemistry.</li> <li> Understand basic quantum mechanical principles to understand the electronic structures and properties of multi-electron atoms and molecules.</li> <li> Understand the fundamental principles of common computational methods of quantum chemistry and molecular simulation.</li></ul>
<p><em>Students should be able to:</em></p><ul> <li> Use the concepts of physical and theoretical chemistry to explain the properties of solutions and apply these to electrochemical systems.</li> <li> Use the concepts discussed in the course to apply computational chemistry methods to study chemical structure, properties and reactions.</li></ul>
<p><em>Students should be able to:</em></p><ul> <li> apply the relevant theoretical skills in practical physical chemistry</li> <li> apply basic computational chemistry software to study the properties of molecules.</li></ul>
<div class="ListContainerWrapper SCXW254677511 BCX8" style="-webkit-tap-highlight-color:transparent;-webkit-text-stroke-width:0px;-webkit-user-drag:none;background-color:rgb(255, 255, 255);color:rgb(0, 0, 0);font-family:"Microsoft Sans Serif", "Microsoft Sans Serif_MSFontService", sans-serif;font-size:14.6667px;font-style:normal;font-variant-caps:normal;font-variant-ligatures:normal;font-weight:400;letter-spacing:normal;margin:0px;orphans:2;padding:0px;position:relative;text-align:left;text-decoration-color:initial;text-decoration-style:initial;text-decoration-thickness:initial;text-indent:0px;text-transform:none;user-select:text;white-space:normal;widows:2;word-spacing:0px;"><p class="Paragraph SCXW254677511 BCX8" style="-webkit-tap-highlight-color:transparent;-webkit-user-drag:none;background-color:transparent;border-left:0.666667px solid rgb(0, 0, 0);border-right:0.666667px solid rgb(0, 0, 0);border-top:0.666667px solid rgb(0, 0, 0);color:windowtext;font-kerning:none;font-style:normal;font-weight:normal;margin:0px;overflow-wrap:break-word;padding:1.33333px 8px 1.33333px 5.33333px;text-align:left;text-indent:0px;user-select:text;vertical-align:baseline;white-space:pre-wrap;" data-ccp-border-bottom="0.6666666666666666px solid #000000" data-ccp-padding-bottom="1.3333333333333333px" paraid="1712775853" paraeid="{dd4ff37e-0da2-462d-9ab1-24208078a0b8}{90}"><span style="color:rgb(0,0,0);"><span class="TextRun SCXW254677511 BCX8 NormalTextRun" style="-webkit-tap-highlight-color:transparent;-webkit-user-drag:none;font-family:"Microsoft Sans Serif", "Microsoft Sans Serif_EmbeddedFont", "Microsoft Sans Serif_MSFontService", sans-serif;font-size:11pt;font-variant-ligatures:none !important;line-height:17.2667px;margin:0px;padding:0px;user-select:text;" data-contrast="none" xml:lang="EN-GB" lang="EN-GB">Numerical Skills</span><span class="EOP SCXW254677511 BCX8" style="-webkit-tap-highlight-color:transparent;-webkit-user-drag:none;font-family:"Microsoft Sans Serif", "Microsoft Sans Serif_EmbeddedFont", "Microsoft Sans Serif_MSFontService", sans-serif;font-size:11pt;line-height:17.2667px;margin:0px;padding:0px;user-select:text;" data-ccp-props="{"335572071":4,"335572072":1,"335572073":4278190080,"335572075":4,"335572076":6,"335572077":4278190080,"335572079":4,"335572080":1,"335572081":4278190080,"335572083":4,"335572084":4,"335572085":4278190080,"469789798":"single","469789802":"single","469789806":"single","469789810":"single"}"> </span></span></p></div><div class="ListContainerWrapper SCXW254677511 BCX8" style="-webkit-tap-highlight-color:transparent;-webkit-text-stroke-width:0px;-webkit-user-drag:none;background-color:rgb(255, 255, 255);color:rgb(0, 0, 0);font-family:"Microsoft Sans Serif", "Microsoft Sans Serif_MSFontService", sans-serif;font-size:14.6667px;font-style:normal;font-variant-caps:normal;font-variant-ligatures:normal;font-weight:400;letter-spacing:normal;margin:0px;orphans:2;padding:0px;position:relative;text-align:left;text-decoration-color:initial;text-decoration-style:initial;text-decoration-thickness:initial;text-indent:0px;text-transform:none;user-select:text;white-space:normal;widows:2;word-spacing:0px;"><p class="Paragraph SCXW254677511 BCX8" style="-webkit-tap-highlight-color:transparent;-webkit-user-drag:none;background-color:transparent;border-left:0.666667px solid rgb(0, 0, 0);border-right:0.666667px solid rgb(0, 0, 0);color:windowtext;font-kerning:none;font-style:normal;font-weight:normal;margin:0px;overflow-wrap:break-word;padding:1.33333px 8px 1.33333px 5.33333px;text-align:left;text-indent:0px;user-select:text;vertical-align:baseline;white-space:pre-wrap;" data-ccp-border-top="0.6666666666666666px solid #0000
<p>Solutions and Electrochemistry (Dr Sam Cobb, 10 lectures, 2 workshops) </p><p>• Definition and interrelation of mole fraction, molality, molarity. </p><p>• Chemical potential: ideal and non-ideal liquid mixtures. </p><p>• Electrolyte solutions and their non-ideality: the Debye-Huckel Law. </p><p>• Electrode potentials. </p><p>• Electrochemical cells </p><p>• Application of electrochemistry beyond equilibrium: Batteries and catalysis </p><p> </p><p> </p><p>Computational Chemistry I (Electronic Structure Theory - Dr Meagan Oakley, 5 lectures, 1 workshop) </p><p>• Introduction to computational chemistry: overview and challenges. </p><p>• Solutions of hydrogenic atoms: radial and angular wave functions. </p><p>• Many-electron atoms and electronic states. </p><p>• Molecular orbital theory: LCAO and the Hückel method. </p><p>• Principles of quantum chemistry and the electronic structure of some simple molecules. </p><p> </p><p>Computational Chemistry II (Methods and Application - Dr Harry Morgan, 7 lectures, 1 workshop) </p><p>• Molecular coordinates, the potential energy surface and stationary points. </p><p>• Introduction to geometry optimization and conformational analysis. </p><p>• Molecular mechanics and force-fields. </p><p>• Quantum chemistry methods: application and approximations (including DFT). </p><p>• Molecular simulation: classical molecular dynamics and ensemble properties. </p>
<ul> <li> Standard 3 blocks of 8 x 1 hour lectures (including 3 x 1 hour workshop/examples class) with supplementary information, including additional notes will be available.</li> <li> Tutorials/workshops/examples classes.</li> <li> Online computer tests will be available in blackboard.</li> <li> Feedback Questions on the lectures, together with worked answers, will be discussed in tutorials/workshops/examples classes.</li></ul>
1
Written exam
100%
<p> </p><ul><li>formative assessment/feedback in Blackboard </li><li>exam questions/multiple choice quiz </li><li>feedback from tutors marking and commenting on submitted tutorial work </li></ul>
<p>Pre-requisite units </p><p>CHEM10101 Introductory Chemistry</p><p>CHEM10212 Energy and Change</p><p>CHEM10530 Chemists Toolkit </p>
N
<p>Core text </p><p> </p><p>P. Atkins and J de Paula, Atkins' Physical Chemistry (12th Ed, Oxford, 2022) </p><p> </p><p>A. Hinchliffe, Molecular Modelling for Beginners, Wiley, 2003.</p><p> </p><p> </p><p>Recommended reading</p><p> </p><p>Hamann, C.H. (2007) Electrochemistry . 2nd completely rev. and updated ed. Weinheim :, Wiley-VCH.</p><p> </p><p>Bard, A.J. (2022) Electrochemical methods : fundamentals and applications . Third edition. Hoboken :, John Wiley & Sons Inc.</p><p> </p><p>Harvey, J. (2018) Computational chemistry . Oxford, United Kingdom :, Oxford University Press.</p><p> </p><p>Jensen, F. (2007) Introduction to computational chemistry [electronic resource] . 2nd ed. Chichester, England ;; Hoboken, NJ :, John Wiley & Sons.</p><p>K. Downard, Mass Spectrometry – A Foundation Course, RSC, 2004</p><p> </p><p>Cramer, C.J. (2004) Essentials of computational chemistry : theories and models . Second edition. Chichester, West Sussex, England ; Hoboken, NJ :; Chichester, West Sussex, England ; Hoboken, NJ :, Wiley.</p><p> </p><p>Grant, G.H. (1995) Computational chemistry . Oxford :, Oxford University Press.</p><p> </p><p>Compton, R.G. (1996) Electrode potentials . Oxford ; New York :; Oxford ; New York :, Oxford University Press.</p><p> </p>
Assessment written exam
2
Lectures
24
Tutorials
3
0
71