Module Details

The information contained in this module specification was correct at the time of publication but may be subject to change, either during the session because of unforeseen circumstances, or following review of the module at the end of the session. Queries about the module should be directed to the member of staff with responsibility for the module.
Title Key Skills for Chemists IIB
Code CHEM282
Coordinator Dr GR Darling
Chemistry
Darling@liverpool.ac.uk
Year CATS Level Semester CATS Value
Session 2015-16 Level 5 FHEQ Second Semester 7.5

Pre-requisites before taking this module (or general academic requirements):

 

Aims

  1. To further develop the quantitative skills of a student, through more advanced skills in the application of mathematics, physics and information technology applicable to the second year of an undergraduate degree in chemistry. (50% of module)
  2. To introduce students to the use of Molecular Modelling in Chemistry *(35% of module)
  3. To further develop a student''s  general transferable skills in oral and written communication, presentation and team working. (15% of module).


Learning Outcomes

The overarching learning outcome is that students will gain the necessary key skills to perform well in their chemistry degree programmes.

Quantitative key skills:
By the end of the module a successful student will have improved their ability to:
  • perform basic calculus (integral and differential) as applied to kinetics, thermodynamics and quantum mechanics
  • apply algebraic manipulation in kinetics, thermodynamics and quantum mechanics
  • apply the algebra of complex numbers in quantum mechanics problems
  • use basic matrix vector algebra
  • solve simple eigenvalue problems and compute determinants of small matrices

Molecular Modeling skills
By the end of this module, a successful student will have gained:

  • a qualitative understanding of ab initio, semi-empirical and empirical models, knowing which model is suitable for a particular type of problem.
  • the ability to to predict the ground state energy and structure of isolated molecules (not too complicated) and estimate equilibrium constants (ΔH = ΔE) for simple reactions
  •  the ability to rationalise some aspects of reactivity (charge density, frontier orbitals).
  • some experience of modelling intermolecular forces and complexes.

General key skills:
By the end of this module, a successful student will have improved:

  •  knowledge of methods of presenting chemical research.
  •  presentation skills

Teaching and Learning Strategies

Workshop - Quantitative Key Skills lecture and problem classes

1 hour lecture followed by 2 hour class

Assessment - Quantitative Key Skills Classtest

Class test

Lecture - Introduction to Molecular Modelling

Workshop - Optional support workshop for Molecular Modelling assignments

Tutorial - Effective Communication: feedback/advice on draft written communication

Students can submit a draft essay on vital to receive constructive criticism.


Syllabus

Quantitative Key Skills
 
This section of the module will be the responsibility of Dr George Darling who will ensure that activities build on the quantitative skills developed in Year 1. These skills will involve a selection from the following topics designed specifically to match the requirements of the equivalent one semester module CHEM262 Physical Chemistry IIB: 
  • Revision of re-arrangement algebra, quadratic equations, exponents and logarithms, the exponential function, trigonometric functions
  • Revision of basic calculus, rules of differentiation – chain rule etc. - basic integration
  • Calculus used in kinetics, thermodynamics and quantum mechanics
  • Partial differentiation
  •  Complex numbers and their use in quantum mechanics
  • Basic matrix-vector algebra
  • Eigenfunctions, eigenvalues and their relationship to quantum mechanics
  • Eigenvectors, eigenvalues, the matrix determinant and matrix inverses 
 
 Molecular Modelling Key Skills
 
This section will be the responsibility of D r. Richard Bonar Law. The lectures and workshops will cover:
Introduction:summary of techniques covered in the course, and sources for further reading.

  • Molecular Mechanics using force-fields
  • Quantum chemical methods 1: HF-SCF, basis sets.
  • Quantum chemical methods 2: Geometry optimisation, HF limit, CI, MP2, DFT
  • Semi-empirical and empirical methods: AM1, PM3, conformational analysis.
  • Modelling non-covalent interactions: van der Waals, electrostatics, aromatic stacking, hydrogen bonding, cooperativity.
 
General Key Skills
This section of the module will be the responsibility of Dr George Darling. Students will wr ite an essay discussing the research in the Chemistry Department.
 


Recommended Texts

Reading lists are managed at readinglists.liverpool.ac.uk. Click here to access the reading lists for this module.
Explanation of Reading List:

Teaching Schedule

  Lectures Seminars Tutorials Lab Practicals Fieldwork Placement Other TOTAL
Study Hours 2
Introduction to Molecular Modelling
  1
Effective Communication: feedback/advice on draft written communication
    15
Quantitative Key Skills lecture and problem classes
2
Quantitative Key Skills Classtest
20
Timetable (if known)     Students can submit a draft essay on vital to receive constructive criticism.
 
    1 hour lecture followed by 2 hour class
Class test
 
 
Private Study 55
TOTAL HOURS 75

Assessment

EXAM Duration Timing
(Semester)
% of
final
mark
Resit/resubmission
opportunity
Penalty for late
submission
Notes
Unseen Written Exam  120  Semester 2  15  Yes  Standard UoL penalty applies  Problem solutions in test 
CONTINUOUS Duration Timing
(Semester)
% of
final
mark
Resit/resubmission
opportunity
Penalty for late
submission
Notes
Coursework  5 x 3 hour Quantitat  Semester 2  30  Yes  Standard UoL penalty applies  Problem Solutions 
Coursework  3 x 2 hour assignmen  Semester 2  40  Yes  Standard UoL penalty applies  Solutions to set Molecular Modelling problems 
Coursework  1500 word General Ke  Semester 2  15  Yes  Standard UoL penalty applies  Essay Notes (applying to all assessments) Quantitative Key Skills (QKS) Workshops: problem based assessments to be completed by end of each workshop with demonstrator assistance. Marked by demonstrators and moderated by staff member in charge of QKS section of module. Quantitative Key Skills Class Test: problem based assessments to be completed with no assistance. Marked by demonstrators and moderated by staff member in charge of QKS section of module. Molecular Modelling Key Skills (MMKS): assignments to be completed after the lectures with assistance available in the optional workshops. The final assignment is a group scientific poster making exercise. General Key Skills Essay: Essays submitted via Vital assessed by the tutor. Feedback is provided before the end of Semester 2 in person and via Vital. All GKS marks moderated by staff member in charge of this section of module. Students who fail this module will be given the opportunity to resubmit missing or failed exercises during the summer. The nature of this module is such that work cannot be marked anonymously as marking is either done within the timetabled sessions in front of students or via Vital.