Download COURSE SYLLABUS CHEM 433 – Physical Chemistry I Fall 2014

COURSE SYLLABUS
CHEM 433 – Physical Chemistry I
Fall 2014
Instructor
Lecture
Office
Office Phone
Office Hours
E-mail
Dr. Sudeep Bhattacharyay
P-319, MTWR (11:00 – 11:50 AM)
P-455
715 836 2278
TR 1:00-3:00 PM
[email protected]
Course Overview
CHEM 433 is a physical chemistry course that depends strongly on the understanding of CHEM 104
- the foundation course for learning chemical principles. In a broader sense, physical chemistry can
be defined as the application of physics to chemistry. The physics explains the world around us by
building various models. The models such as kinetic theory of gases, collision theory of reactions
etc. are purely classical-based. In contrast, for subatomic world, one needs to go beyond classical
world and invoke the laws of quantum mechanics to describe small particles like electron. In
classical and quantum worlds alike, the physics needs the support of mathematics to construct its
models. Thus much of physical chemistry is inherently mathematical and can be conceived faster
through exercises and problem solving. Therefore, a recommended approach to succeed in physical
chemistry is to solve as many end-of-chapter problems as possible. The general goal of learning
physical chemistry is to obtain an in-depth understanding of why and how chemical reactions occur,
which in turn may enable us to accurately design reactions leading to novel molecules of the future.
Course Objective
 Obtain a vision of matter-energy relationship in physical and chemical systems.
 Understand transformations at the molecular level.
Required Materials
Textbook (for theory): Peter Atkins and Julio De Paula, Physical Chemistry, 9th Ed., Freeman, New
York, 2010.
Textbook 2 (for mathematics): R. G. Mortimer, Mathematics for Physical Chemistry, fourth edition,
Elsevier, 2013.
A laptop (PC or Mac) for connecting to Blugold Supercomputing. Cluster
Finally, a time commitment of 1-2 hours/day to solve the end-of-chapter problems.
Active Learning through Computational Chemistry Project
The course will provide approximately 14-15 workshops (i.e. one in each week) to help you to learn
the computational chemistry that involves application of physical chemistry theory to solve chemical
problems. The project will require scripting, job running, and data analysis; a part of which will be
done as home assignment (about 1-2 h/week). Each Friday you will have to send me an update on the
project: a write up in the form of .docx and all raw data files. The newly built up Blugold
Supercomputing Cluster or BGSC (for details, please see http://people.uwec.edu/bhattas/bgsc.html)
will be used in the study. Workshop attendance and weekly report submission will carry 50% points.
Before the final exam, you will be required to submit a report (see below), which will have the other
50% of the total project grade. If after the completion of the project, the study satisfies the criteria of
peer-reviewed publications (novelty of approach, consistency of results, implications to future
investigations), attempts will be made to compile the results in the form of an article authored and
publish.
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Home Assignments
The classroom time will be used to discuss theories and their applications to some small number of
textbook problems. You will be assigned to solve some others by yourself. But, these problems
are challenging and extremely rich resources for your learning. You are strongly encouraged to
form study group to discuss them with your peers.
‘The only way to learn physical chemistry is to solve as many problems as time permits’
-Prof. King
The assignment consists of 30% points.
The procedure of grading these assignments will be discussed in detail in the class.
Office Hours
Also, please schedule an office hour to meet me one-to-one to discuss problem questions and your
project. I would also like to discuss your progress during these meetings. You can walk into my
office (P-455) anytime except 2 hours before lecture. Furthermore, if you schedule an
appointment, I will be available on Tuesdays and Thursdays (1:00-3:00 PM) for these
discussions.
Attendance
The university requests that the class attendance be monitored. Although, the attendance will not be
used to determine your class grade, you are expected to attend all workshops and lectures.
As a general rule, make-ups for missed in-class activities, quizzes, exams, etc. will be provided only
due to an authorized absence. It is the student’s responsibility to inform the instructor of such
situations and to provide appropriate documentation. Students will need to consult with the
instructor regarding the nature of the make ups and due dates. Work that is late for nonauthorized reasons will not receive full credit and if it is too late, it will not receive any credit.
Although students will not be penalized when absences are authorized, it is important to
understand that in some cases the make-up work may be significantly different from the original
assignments, exams, etc.
Project Report
A final report in the form of an article will be required. The Journal of Physical Chemistry format
will be followed and a detailed instructions for paper writing will be communicated later. The
final project will have 50% of the total project grade.
Goals of the Baccalaureate Degree
This course is intended to help students develop the following:
 An understanding of science as a collective human endeavor.
 An evidence-based understanding of the natural world.
 An ability to inquire, think, and analyze.
 An ability to interpret numerical data.
 An ability to understand diversity and collaborate with diverse individuals.
Classroom Behavior
 Turn off cell phones when you come to class.
 Computer use in the class should be better connected with the classroom activities. Please
discuss your plans with me ahead of time.
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List of Lecture Topics
I. Introductory Topics (~5 lectures)
- Fundamentals (F.1- F.7) must read F.1-F.4 before the class
- Mathematical functions and differential calculus, Chapter 2 and 6
- Calculus with several independent variables, Chapter 8
II. Gases (~4 lectures)
- The Ideal Gas Law: An “Equation of State” (1.1 - 1.2)
- Equations of State for “Real” Gases (1.3 - 1.4)
III. First Law of Thermodynamics (~9 lectures)
- Basics of work, heat, and energy (2.1, 2.2)
- Expansion, heat transaction, enthalpy, and adiabatic changes (2.3 - 2.6)
- Thermochemistry (2.7 - 2.9)
- State functions and exact differentials (2.10-2.12)
EXAM #1
IV. Second Law of Thermodynamics (~10 lectures)
- The dispersal of energy (3.1 - 3.2)
- Entropy changes (3.3)
- 3rd Law of thermodynamics (3.4)
- Free energy (3.5, 3.6)
- Combining the 1st & 2nd laws (3.7 - 3.8)
- Properties of Gibbs free energy (3.9)
V. Physical Changes: Pure Substances (~3 lectures)
- Phase stability, phase diagrams (4.1 - 4.3)
- The chemical potential & thermodynamic equilibrium (4.4)
- Phase boundaries, phase transitions (4.5 - 4.7)
EXAM #2
VI. Physical Changes: Mixtures and Solutions (~6 lectures)
- Thermodynamics of mixing (5.1 - 5.3)
- Ideal vs. non-ideal solutions (5.4 - 5.7)
- Electrolyte solutions (5.9)
- Activities (5.10-5.13)
VII. Chemical Changes: Equilibrium (~3 lectures)
- Gibbs Energy of a Reaction Mixture – Derivation of K (6.1 - 6.2)
- Le Chatelier’s Principle (6.3 - 6.4)
VIII. Chemical Change: Kinetics (~6 lectures)
- Kinetic theory of gases and transport properties (20.1-20.4)
- Rate laws (21.1 - 22.4)
- Temperature dependence of reaction rates (21.5)
EXAM #3
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IX. Statistical Thermodynamics (~9 lectures)
- The distribution of molecular states (15.1-15.2)
- The internal energy and the entropy (15.3-15.4)
- The canonical partition function (15.5-15.7)
- Applications to real chemical systems (16.1, 16.2)
FINAL EXAM
SUBMISSION OF PROJECT REPORT
Academic Integrity
Academic misconduct in any portion of the academic work will not be tolerated. The disciplinary
procedures and penalties for academic misconduct are described in the UW-Eau Claire Student
Services and Standards Handbook in the section titled, “Chapter UWS 14 – Student Academic
Disciplinary Procedures.”
Deadline for Dropping the Course with No Record
September 15th
Students with Disabilities
Any student who has a disability and is in need of classroom accommodations, please contact the
instructor and the Services for Students with Disabilities Office in Centennial Hall 2106 at the
beginning of the semester.
Summary of Grading Scheme
Exams (lecture)
Final exam (comprehensive)
Assignments
Molecular Modeling Project
Total
300
200
300
200
1000
Course Grading Scale
Grade
A
AB+
B
Percentage
90-100%
88 -89.9
85-87.9
79-84.9
Grade
BC+
C
C-
Percentage
75-78.9
72-74.9
69-71.9
65-68.9
4
Grade
D+
D
DF
Percentage
62-64.9
59-61.9
50-58.9
< 50%