Chem 111
Chemical Kinetics
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Chem 111 |
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Dr. Kalju Kahn
Office: PSB-N 2623
Office hours: Tue, Thu (9:30-10:30 PM) or by appointment
Phone: 893-6157
E-mail: kalju@chem.ucsb.edu
Web site: http://www.chem.ucsb.edu/~kalju
To teach principles of reaction kinetics and catalysis. Topics covered include the laws and theories governing rates of chemical reactions and reaction mechanisms in the gas phase, in solution, and at the solid-liquid interface. Emphasis is placed on modern experimental approaches to study kinetics in complex chemical and biochemical systems. Analysis of experimental data is introduced. Computational approaches to estimate rates of chemical reactions and study the mechanism of catalysis are discussed.
Lecture: TR 8:00-9:15 Place: GIRV 2120
Computer Lab: Open access Place: Chem 1153
| Syllabus | General information about the course | |
| Textbook | "Principles of Chemical Kinetics, 2nd ed" by James E. House, (2007). | $40 (Amazon) |
| History | Course website for Chem 111 (Fall 2008) | Link |
| Upload | Submit your assignments as MS Word or PDF files | Link |
| Notes | Supplementary Graphics: Week 1 | |
| Notes | Supplementary Notes: Week 1 | |
| Mathematica | Mathematica Explained by Prof. Horia Metiu | Link |
| Exams | Midterm I Preparation Guide | |
| Exams | Midterm II Preparation Guide | |
| Exams | Sample Questions from past Midterm Exams | |
| Exams | Midterm II Key | |
| Points | Point Distribution: Before Final | PNG |
| Final | Final Preparation Guide | |
| Final | Final Exam Key (Fall 2010) | |
| Points | Point Distribution in the Course | PNG |
| Literature | Required reading in PDF | Acrobat |
| Relaxation | Microsecond Folding of the Cold Shock Protein Measured by a Pressure-Jump Technique (Jacob et. al., 1999) | |
| Relaxation | Discussion Questions: (Jacob et al, 2003) | |
| SVD | Kinetic and Spectroscopic Characterization of Hydroperoxy Compound in the Reaction of Native Myoglobin with Hydrogen Peroxide (Egawa et al, 2003) | |
| SVD | Discussion Questions: (Egawa et al, 2003) |
| Literature | Supplemental reading in PDF | Acrobat |
| Relaxation | The temperature-jump technique for the study of fast reactions in solution (Crooks, 1983) | |
| Relaxation | Laser temperature jump induced protein refolding (Gruebele, Sabelko, Ballew and Ervin, 1998) | |
| Relaxation | Submicrosecond real-time fluorescence sampling: application to protein folding (Ervin, Sabelko, and Gruebele, 2000) | |
| Hammond | A Correlation of Reaction Rates (Hammond, 1953) | |
| Hammond | Commentary on "A Correlation of Reaction Rates" (Hammond, 1985) | |
| Hammond | Application of Physical Organic Chemistry to Engineered Mutants of Proteins (Fersht, 1993) | |
| Hammond | Movement of the Position of the Transition State in Protein Folding (Fersht, 1995) | |
| Gas Phase | Flow Tubes: Brief Notes | |
| Gas Phase | Kinetic Measurements Using Flow Tubes: C. J. Howard | |
| Gas Phase | Kinetics of Elementary Radical Reactions in the Gas Phase: F. Kaufman | |
| Reversible | Decomposition of hydrogen iodide (Kistiakowsky, 1928) | |
| SVD | Application of Multivariate Resolution Methods to Study of Biochemical and Biophysical Processes (Jaumot et al, 2004) | |
| SVD | Deconvolutions based on SVD and the Pseudoinverse: a Guide for Beginners (Hendler and Shrager, 1994, 2004) | |
| TST | The Development of Transition State Theory: Laidler and King |
Some Tutorials are provided only as PDF so that you can practice typing in commands into Mathematica. Others are provides as Mathematica Notebooks. Save these in your hard disk and use Mathematica to run the commands. Alternatively, you may use a free program MathReader to examine the content of Notebooks.
| Mathematica | Tutorials and Assignments in PDF and NoteBook (NB) | Acrobat | MathReader |
| Mathematica | General Introduction to Mathematica | NB | |
| First-Order Kinetics | Solving Differential Equations with Mathematica | NB | |
| First-Order Kinetics | Simulation and Least-Squares Fitting; Data Import | NB | |
| Reaction Order | Differential Method using Finite Differences | NB | |
| Homework 1 | Analysis & Interpretation of Kinetic Data | ||
| Homework 1 Key | Analysis & Interpretation of Kinetic Data | ||
| Reversible Reactions | First Order Process, k1 = k2, no B initially | NB | |
| Reversible Reactions | First Order Process, k1 different from k2, B initially present | PDF |
NB |
| Reversible Reactions | Temperature Dependence of Reaction Equilibrium | ||
| Relaxation Methods | Temperature Jump: Kinetics of Relaxation | ||
| 2nd-Order Kinetics | Second-order irreversible reaction: A + A → P | NB | |
| 3rd-Order Kinetics | Third-order irreversible reactions | NB | |
| 2nd-Order Kinetics | Second-order irreversible reaction: A + B → P | NB | |
| Reversible Rx | Mixed order rev. A + A = P reaction: Concentrations | NB | |
| Reversible Rx | Mixed order rev. A + A = P reaction: Reaction Extent | NB | |
| Reversible Rx | Second order reversible A + A = P + Q reaction | NB | |
| Reversible Rx | Mixed and second order reversible reactions | NB | |
| Consecutive Rx | Solving Coupled Differential Equations: A → B → C | NB | |
| Consecutive Rx | Solving Coupled Differential Equations: A → B; 2 B → C | NB | |
| Consecutive Rx | Least-Squares Analysis of Data: A → B → C Model | PDF-v6 | NB-v6 |
| Mathematica | Introduction to Linear Algebra with Mathematica | NB | |
| Absorbance |
Analysis of Noisy Multi-wavelength Absorbance Data:
A → B |
NB | |
| Absorbance |
Generation and SVD Analysis of Noisy Absorbance Data:
A → B |
NB | |
| Absorbance | Generation of Noisy Absorbance Data: A → B → C | NB | |
| Absorbance | Analysis of Noisy Absorbance Data: A → B → C | No NB | |
| Homework 2 | Mixed Order Reversible Reactions. Consecutive Reactions | ||
| Homework 2 | Mixed Order Reversible Reactions: Key | ||
| Homework 2 | Consecutive Reaction: Key | ||
| Midterm 2 | Consecutive Reaction: Q1 Explained | NB | |
| TST | Transition State Theory: Introduction and Calculations | NB | |
| Comp Chem | Rate Constants from Computational Chemistry: HCN Isomerization Example | Link | |
| Comp Chem | Rate Constants from Computational Chemistry: Tutorial and Takehome | Part 1 | Part 2 |
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