MATS2006. Diffusion and Kinetics

Transcription

1 School of Materials Science & Engineering Course Outline Session 2, 2016 MATS2006 Diffusion and Kinetics Course Outline Session 2, 2016

2 Table of Contents Course Objectives... 2 Course Staff... 2 Timetable... 3 Your Course at a Glance... 3 Course Content... 4 Assessment... 5 Recommended Reference Materials... 6 Learning and teaching philosophy underpinning the course... 6 Course Information... 7 Academic honesty and plagiarism... 8 Continual course improvement... 9 Administrative Matters... 9 Rules for Exams Course Objectives In this course you will be introduced to the fundamentals of kinetics and diffusion mechanisms pertinent to engineering materials. The course will present principles of design and operation of chemical reactors. When successfully completed, you will be able to apply these fundamentals to quantify transport phenomena that occur in various materials processing applications and select and size ideal reactors suitable for a given chemical reaction. Course Staff Prof. Nagarajan Valanoor Lecturer Assoc. Prof. Jason Harper Lecturer Dr Raffaella Mammucari Room 247, School of Materials Science and Engineering (Building E10) Phone: nagarajan@unsw.edu.au Room 223 Dalton Building (F12) School of Chemistry Phone: j.harper@unsw.edu.au Room 215 Applied Sciences Building (F10) School of Chemical Engineering Phone: R.Mammucari@unsw.edu.au Consultation hours: by appointment Consultation hours: by appointment Consultation hours: by appointment 2

3 Timetable Lectures Day Time Location Wednesday 14: Old Main Building - K Friday 11:00 13:00 Webster Theatre A G Laboratory MATS2006 Labs are scheduled on Mondays 9-12 at ChemLab West (Chemistry teaching lab). Students must attend one of the three laboratory classes run on weeks 8, 9 and 10. A lab report must be submitted at the end of the lab class. LA1 Monday (week 8) LA2 Monday (week 9) LA2 Monday (week 10) Your Course at a Glance Please note: You will need to score a minimum of 20% in each strand to pass the course. Diffusion Professor Nagy Valanoor will teach on Fridays 11:00 13:00 Program Weeks Assessment task Introduction to solid state diffusion, atomistics of diffusion, Fick's first and second laws Application of diffusion equations Error function solution and thin film solution General solution to Fick s Law 3 Use of diffusion equations in materials processing 4 Surface, grain boundary and dislocation pipe diffusion (Wed) Exam 6 Diffusion in ionic solids. Interdiffusion and the Kirkendall effect. Relationship between diffusion and conductivity. Nucleation and growth kinetics 8-10 Revision 11 Open book exam on contents from Weeks 7-10 during Friday class 7 12 Exam in week 6 (25%) Exam in week 12 (25%) 3

4 Kinetics and Reaction Engineering Dr Jason Harper (JH) and Dr Raffaella Mammucari (RM) will teach on Wednesdays 14:00 16:00 Program Week Assessment task Introduction to, and how to follow, reaction kinetics, Determining the rate equation Temperature dependence of rates and correlating observed rates with reaction mechanisms JH 1 JH 2 Online Assignment 2% Mass Balance and Design RM 3 Online Assignment 2% Ideal reactors RM 4 Online Assignment 2% Design of reactors for complex reactions RM 5 Rate equations for complex reaction mechanisms; Molecular Reaction Dynamics JH 5 (Friday) Diffusion all of week 6 NV 6 Online Assignment 2% Temperature dependency in reaction design RM 7 Site Visit / Practice Exam* 8 Site Visit / Practice Exam* 9 Online Assignment 2% Revision / Return Practice Exam 10 Exam 11 Exam 30% Results and Feedback 12 Kinetics Laboratory Schedule You need to attend only one of the lab sessions Kinetics Labs 8 Lab report 10% Kinetics Labs 9 Lab report 10% Kinetics Labs 10 Lab report 10% *The activities are organized over two days (Wednesday and Friday). Half of the class will go to the site visit whilst the other half will be doing the practice exam. The practice exam is a formative only exercise and will not count toward your course mark. Course Content Introduction to solid state diffusion, atomistics of diffusion, Fick's first and second laws; thin film solution and tracer diffusion measurements, semi-infinite and infinite diffusion couples - diffusion in a concentration gradient; temperature effects; surface, grain boundary and dislocation pipe diffusion; diffusion in ionic solids, interdiffusion and the Kirkendall effect, measurement of variable diffusion coefficients; interface controlled growth, diffusion controlled growth. Reaction rate defined, the rate law, rate constant, order. Experimental determination of the rate law: the method of initial rates, methods using integrated rate equations for 1st order and for simple cases of 2nd order reactions; rate constants, half-life. Effect of temperature on reaction rates: the Arrhenius equation, activation energy, frequency factor. Elementary reactions, mechanism, rate determining step; relation to the rate law. Complex reactions: opposing, consecutive and parallel reactions; catalysis and catalysts; enzyme catalysis, Michaelis-Menten mechanisms. Introduction to molecular reaction kinetics: collision theory. Modelling the progress of chemical reactions in a variety of reactor types. Design of ideal chemical reactors and their combinations. 4

5 Laboratory work Laboratory work in the course is designed to directly complement the lecture material and to provide practical understanding and experience in reaction kinetics. Students should note that: Attendance at laboratory classes is compulsory. Prior to selected laboratories, students will receive OHS information (such as risk assessments) and will be required to sign a declaration that they have read and understood this information. Appropriate footwear must be worn by students in laboratories at all times. Safety glasses and laboratory coats must be worn in laboratories. These items will not be provided by the School students are expected to provide their own. Any student not wearing these items will not be permitted in the laboratory and will not be allowed to retake the laboratory at another time and will receive a mark of zero for that laboratory. Assessment Assessment Task Fraction DIFFUSION Total 50% Mid-session Exam: Open book exam in week 6 based on content covered in weeks 1-6. You will be asked to apply Fick s laws and various solutions to Fick s Law s to solve engineering-based numerical problems. There will also be graphical data obtained from texts. You will be asked to analyse the data and give reasons for the observed behaviour. 25% Open book exam in week 12 based on contents covered in weeks You will answer questions based typically on interdiffusion, Kirkendall effect, thermodynamics of diffusion and nucleation and growth theory applied to materials processing phenomena. 25% KINETICS AND REACTOR ENGINEERING Total 50% Laboratory Small group exercise in the laboratory, determining initial reaction rates and correlating concentration dependence to order of the reaction. Concludes with a written report Report Due: Conclusion of laboratory period 10 On line Assignments 2% each x 5 assignments 10 Exam Week 11, in class, on all kinetics/reaction engineering content. Students will be asked to understand simple kinetic systems, determine and apply rate equations, and derive and apply design equations to ideal reactors systems. 30% 5

6 Recommended Reference Materials Kinetics P.W. Atkins and J. De Paula, Elements of Physical Chemistry, 5th edition, Oxford University Press, Diffusion J. E. Brady, J. W. Russell and John R. Holum, Chemistry Matter and Its Changes, John Wiley & Sons, Inc. New York, 3 Edition, 2000 (Chapter 13) Levenspiel, Chemical Reaction Engineering, John Wiley & Sons, any edition, freely available in electronic version. H. Y. Sohn, Fundamentals of the Kinetics of Heterogeneous Reaction Systems in Extractive Metallurgy, Rate Processes of Extractive Metallurgy (Eds. H Y Sohn and M E Wadwsworth), Plenum Press, H S Ray, Kinetics of Metallurgical Reactions, International Science Publisher, N.J. Themelis, Transport and Chemical Rate Phenomena, Gordon and Breach, DA. Porter and K.E. Easterling, Phase Transformations in Metals and Alloys, Chapman & Hall, London, P.Shewmon, Diffusion in Solids, 2nd Edition, Minerals, Metals & Materials Society, Warrendale, PA, Robert Reed-Hill, Physical Metallurgy Principles, PWS-Kent Pub Reaction engineering Octave Levenspiel, Chemical Reaction Engineering, 3 rd edition, Wiley Learning and teaching philosophy underpinning the course Based on UNSW Learning Guidelines The course is designed for students to actively engage in the learning process and analyse and synthesise the content in a real world environment. Students are engaged actively in the learning process. It is expected that, in addition to attending classes, students will read, write, discuss, and engage in analysing the course content. Effective learning is supported by a climate of inquiry, where students feel appropriately challenged. Students are expected to be challenged by the course content and to challenge their own preconceptions, knowledge, and understanding by questioning information, concepts, and approaches during class and study. Learning is more effective when students prior experience and knowledge are recognised and built on. Coursework, tutorials, assignments, laboratories, examinations, and other forms of learning and assessment are intended to provide students with the opportunity to cross-reference these activities in a meaningful way with their own experience and knowledge. 6

7 Students become more engaged in the learning process if they can see the relevance of their studies to professional and disciplinary contexts. The course content is designed to incorporate both theoretical and practical concepts, where the latter is intended to be applicable to real-world situations and contexts. Applicative implications of the course content are exemplified though a case study and a site visit. Course Information Units of credit 6 How the course relates to This course will give intellectual framework for a number of other course offerings and materials science courses such as phase transformation, overall program(s) in the materials processing, extractive metallurgy etc taught in years 3 discipline and 4. Graduate attributes which will be gained through the course Expected learning outcomes Research, inquiry and analytical thinking abilities Capability and motivation for intellectual development Communication Information literacy Capacity for lifelong learning and professional development Professional attitudes In doing this course, you will learn to: correctly use the language of chemical kinetics including: rate, rate law, order, molecularity, elementary and overall reaction, half-life; isolation method, pseudo-order, rate determining step, reactive intermediate, steady state approximation; mechanism; activation energy, frequency factor; catalyst; potential energy surface, reaction coordinate, steric factor, transition state. define the (true) rate in terms of the rate of change in any reactant or product establish the connection between the observable used to monitor the progress of the reaction and the variable in the rate equation use experimental data to propose and/or verify a rate law and determine the rate constant using: the method of initial rates (the isolation method) integrated rate equations for 1st order and simple cases of 2nd order reactions integrated rate equations for such other cases for which the appropriate equations are supplied define the half-life of a reactant and, for first and 2nd order reactions, relate it to rate constant derive a rate law from a hypothetical reaction mechanism (simple case only) define the rate determining step, describe and use the steady state approximation relate the equilibrium constant for the overall reaction to rate constants for individual steps use the Arrhenius equation to describe the variation of rate constants with temperature describe: the role of catalysts in altering the reaction rate interpret data for enzyme catalysed reactions in terms of the Michaelis-Menten mechanism describe the derivation of expressions for the rate constant according to collision theory and be able to use such expressions to calculate rate constants. correctly use the terms: collision cross section, reduced mass, steric factor, reactive cross section, potential energy 7

8 surface Quantify chemical kinetics and mass transfer processes and apply this knowledge in predicting the rates of materials processing operations. Quantify time dependent mechanisms that occur in materials processing and synthesis with the help of Fick s laws of diffusion. Appreciate the role of microstructural features such as grain boundaries, dislocations and point defects in diffusion Apply elementary calculus to practical situations. Knowledge of the specific reaction engineering topics covered in the course Ability to identify, formulate and solve reaction engineering problems from 1st principles You will also learn to: Think critically in decision making and problem-solving Communicate with correct terminology Conduct online research Core concepts, theories and approaches to address kinetic, diffusion and reaction engineering problems will be covered in lectures. Several examples will be discussed to demonstrate the use of kinetics and diffusion in materials science and engineering. Grades are distributed between different small formative assessment tasks to encourage students to engage with the course material consistently during the semester, to allow practicing the different skills the course aims to support and provide timely feedbacks. Teaching strategies State of the art chemical plant operations will be discussed as part as a site visit to Qenos Sydney manufacturing plant. A seminar will be presented on a topic selected for its relevance to material science students and its technical and applicative significance. The seminars will be presented by a leading expert. Teaching material, including course outline, notes, problems, assignments, case studies and course announcements are available on the Course Moodle website. 1. Based on the professional attributes given in Engineers Australia National Generic Competency Standards - Stage 1 Competency Standard for Professional Engineers and UNSW Graduate Attributes. Academic honesty and plagiarism What is Plagiarism? Plagiarism is the presentation of the thoughts or work of another as one s own.* Examples include: direct duplication of the thoughts or work of another, including by copying material, ideas or concepts from a book, article, report or other written document (whether published or unpublished), composition, artwork, design, drawing, circuitry, computer program or software, web site, Internet, other electronic resource, or another person s assignment without appropriate acknowledgement; paraphrasing another person s work with very minor changes keeping the meaning, form and/or progression of ideas of the original; piecing together sections of the work of others into a new whole; presenting an assessment item as independent work when it has been produced in whole or part in collusion with other people, for example, another student or a tutor; and claiming credit for a proportion a work contributed to a group assessment item that is greater than that actually contributed. 8

9 For the purposes of this policy, submitting an assessment item that has already been submitted for academic credit elsewhere may be considered plagiarism. Knowingly permitting your work to be copied by another student may also be considered to be plagiarism. Note that an assessment item produced in oral, not written, form, or involving live presentation, may similarly contain plagiarised material. The inclusion of the thoughts or work of another with attribution appropriate to the academic discipline does not amount to plagiarism. The Learning Centre website is main repository for resources for staff and students on plagiarism and academic honesty. These resources can be located via: The Learning Centre also provides substantial educational written materials, workshops, and tutorials to aid students, for example, in: correct referencing practices; paraphrasing, summarising, essay writing, and time management; appropriate use of, and attribution for, a range of materials including text, images, formulae and concepts. Individual assistance is available on request from The Learning Centre. Students are also reminded that careful time management is an important part of study and one of the identified causes of plagiarism is poor time management. Students should allow sufficient time for research, drafting, and the proper referencing of sources in preparing all assessment items. * Based on that proposed to the University of Newcastle by the St James Ethics Centre. Used with kind permission from the University of Newcastle Adapted with kind permission from the University of Melbourne. Continual course improvement Students will be asked to provide evaluative feedback through the UNSW's Course and Teaching Evaluation and Improvement (CATEI) process at the end of the course Students are encouraged to address any problems regarding teaching of this course at the annual staff-student meeting Student comments on teaching during the session are welcome and will be appreciated At times students may be asked to answer a short questionnaire for feedback on the course Administrative Matters Students should attend at least 80% of all classes. Students unable to submit assignments on time or attend the mid-session quizzes or final exams on health grounds should make a request for special consideration. Information on this process can be found here ( Medical certificates or other appropriate documents must be included. Students should also advise the lecturer of the situation. 9

10 Assignments/lab reports submitted after the deadline will receive a 10% of maximum grade penalty for every day late, or part thereof. Students who have a disability that requires some adjustment in their teaching or learning environment are encouraged to discuss their study needs with the course coordinator prior to, or at the commencement of, their course, or with the Equity Officer (Disability) in the Equity and Diversity Unit ( Early notification is essential to enable any necessary adjustments to be made. Rules for Exams Rules governing conduct during exams are given at: html - Rulesfortheconductofexaminations Note that the use of mobile phones or music players in an exam room will constitute Academic Misconduct. 10