Page 190 - handbook 20162017

Faculty of Science Handbook, Session 2016/2017

Soft skills: SIC3016 CATALYSIS
CT1-3
Introduction to catalysis, role and implication of catalyst in
References: a chemical reaction. Concept of catalysis in general in
1.D. Deanin, Polymer Sturcture, Properties and which the catalytic function and structure, catalyst design,
Application. Cahners Books, Boston, 1972. synthesis methods, characterisation techniques will be
2.P. J. Flory, Prinsip Kimia Polimer (Terjemahan), Dewan covered.
Bahasa dan Pustaka, 1991. Catalyst performance and causes for catalyst deactivation
3.R. J. Young, and P. A. Lovell, Introduction to Polymers, will be also introduced.
3 Ed. Taylor & Francis Group, 2011. A few examples in the application of catalyst in chemical
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4.H. Sperling, Introduction of Physical Polymer Sciences, industrial processes will be briefly included.
2 ed., John Wiley & Sons, 1992.
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Assessment Methods:
Continuous assessment: 30%
SIC3015 COMPUTATIONAL CHEMISTRY Final examination: 70%
Introduction to computers – history, elements in Medium of instruction:
computers, operating system, computers in chemistry, English
internet. Internet based chemistry – introduction to web
technologies useful in chemistry, chemical databases, use Soft skills:
of chemical web services. CT1-3

Introduction to computational chemistry – history and References:
development, techniques, molecular mechanics and 1.G. Ertl, Kozinger, J. H. Dan Weitkamp, Eds Handbook of
molecular simulations as well as application examples. Heterogenous Catalysis, Vol I dan II. Wiley-VCH, 1997.
2.J. A. van L., P. W. N. M. Moulijn, and R. A. van Santen,
Overview of modern computational methods for the Catalysis: An Intergrated Approach to Homogeneous,
quantum mechanics and molecular mechanics. Heterogeneous and Industrial Catalysis, (Studies in
Description of molecular electronic structure and surface science and catalysis), Elsevier, 1993.
simulations. Computational techniques which include
Hartree-Fock self-consistent-field (SCF), post Hatree-Fock
technique, density functional theory (DFT), semi-empirical, SIC3017 COMPOSITE MATERIALS
molecular mechanics, Monte Carlo simulations and
molecular dynamics with application examples. Theory of composites
Introduction, origin of reinforcement, properties
Practical laboratory – Basic programming and practical comparison between reinforced and unreinforced
computational chemistry software. materials.
Assessment Methods: Mechanical properties of composites
Practical: 25% Cox shear-lag analysis, prediction of longitudinal Young’s
Continuous assessment: 25% modulus of aligned fibre composites, computation of
Final examination: 50% Young’s modulus of composite with complex fibre, high
extension mechanical properties, Kelly-Tyson model,
Medium of instruction: computation of fracture strength.
English
Formation process for composite structure
Soft skills: Injection moulding, extrusion, compression moulding,
CT1-3 pultrusion, etc. Machine structure, operating principle,
products, etc.
References:
1.S. M. Bachrach, Computational Organic Chemistry, Assessment Methods:
WILEY, 2007. Continuous assessment: 40%
2.K. A. Dill, and S. Bromberg, Molecular Driving Forces: Final examination: 60%
Statistical Thermodynamics in Chemistry & Biology,
Garland Science, USA, 2003. Medium of instruction:
3.R. Dronskowski. Computational Chemistry of Solid English
State Materials: A Guide for Materials Scientists,
Chemists, Physicists and others, WILEY VCH, 2006. Soft skills:
4.G. H. Grant and W. G. Richards, Computational CT1-3
Chemistry, Oxford University Press, Oxford, 1995.
5.A. Hinchliffe, Molecular Modelling for Beginners, John References:
Wiley & Sons Ltd. UK, 2008. 1. L. E. Nielsen, Mechanical Properties of Polymers and
6.F. Jensen, Introduction to Computational Chemistry, Composites, Marcel Dekker, New York, 1993.
WILEY, 1990. 2. D. Hull, An Introduction to Composite Materials,
7.W. Koch, and M. C. Holthausen, A Chemist's Guide to Cambridge University Press, Cambridge, 1981.
Density Functional Theory, WILEY VCH, 2001. 3. B. Harris, Engineering Composite Materials, The Institute
8.A. R. Leach, Molecular Modeling Principles and of Metals, London, 1986.
Applications, 2 ed., Prentice Hall, New Jersey, 2001. 4. R. J. Crawford, Plastics Engineering, 3 ed., Butterworth-
rd
nd
9.D. S. Sholl, Density Functional Theory: A Practical Heinemann, 1998.
Introduction, WILEY. 2009.
10. D. C. Young, Computational Chemistry: A Practical
Guide for Applying Techniques to Real World Problems,
John Wiley & Sons, Inc., New York, 2001.

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