Chem 111 |
Dr. Kalju Kahn
Office: PSB-N 2623
Office hours: Tue, Thu (4:30-5:30 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, with focus of determining rate coefficients and identifying kinetically plausible reaction mechanisms, is emphasized. Computational approaches to estimate rates of chemical reactions and study the mechanism of catalysis are discussed.
Lecture: TR 12:30-1:45 Place: GIRV 1112 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) |
Textbook | "Physical Chemistry: Kinetics" by Horia Metiu (2006). | $50 (Amazon) |
Supplement | "Basic Principles of Chemical Kinetics" by Athel Cornish-Bowden (2012). | Free |
Supplement | "Reaction Kinetics" by Claire Vallance (2008). | Free |
History | Course website for Chem 111 (Fall 2010) | Link |
Notes | Supplementary Graphics: Week 1 | |
Notes | Supplementary Notes: Week 1 | |
Exams | Midterm I Preparation Guide | |
Exams | Point Distribution: Midterm I | PNG |
Exams | Midterm II Preparation Guide | |
Points | Point Distribution: Before Final | PNG |
Final | Final Preparation Guide | |
Final | Point Distribution: Final | PNG |
Points | Point Distribution: Total Ratio | 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) | |
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) | |
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) | |
Pharmacokinetics | Pharmacokinetics for Drug Design | |
TST | The Development of Transition State Theory: Laidler and King | |
TST | " ... Thermochemical Kinetics ... |
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 CDF Player to examine the content of Notebooks.
Mathematica | Tutorials and Assignments in PDF and NoteBook (NB) | Acrobat | CDF Player |
Mathematica | General Introduction to Mathematica | NB | |
First-Order Kinetics | A → B; Solving Differential Equations with Mathematica | NB | |
First-Order Kinetics | A → B; Simulation and Least-Squares Fitting; Data Import | NB | |
Reaction Order | Differential Method using Finite Differences | NB | |
Absorbance | A → B: Analysis of Noisy Multi-wavelength Data | NB | |
Absorbance | A → B: Generation and SVD Analysis of Noisy Data: | NB | |
Homework 1 | Analysis & Interpretation of Kinetic Data | ||
Reversible Reactions | A ⇋ B First Order Process, k1 = k2, no B initially | NB | |
Reversible Reactions | A ⇋ B First Order Process, k1 ≠ k2, B initially present | PDF |
NB |
Reversible Reactions | Kinetics and Thermodynamics: Equilibrium Constant | PDF-v6 | |
Reversible Reactions | Temperature Dependence of Reaction Equilibrium | ||
Relaxation Methods | Temperature Jump: Kinetics of Relaxation | ||
Parallel Reactions | Irreversible Parallel First Order Reactions | NB | |
Parallel Reactions | Reversible Parallel First Order Reactions | NB | |
2nd-Order Kinetics | Second-order irreversible reaction: A + A → P | NB | |
3rd-Order Kinetics | Third-order irreversible reactions | NB | |
Reaction Order | General solution to integer-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 + B = 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 | Second order reversible A + B = P + Q reaction | NB | |
Reversible Rx | General Solution for the Reactant Concentration | NB | |
Reversible Rx | General Solution for the Extent of Reaction | NB | |
Homework 2 | Mixed and Second Order Reversible Reactions. | ||
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 | NB | |
Mathematica | Introduction to Linear Algebra with Mathematica | NB | |
Absorbance | Generation of Noisy Absorbance Data: A → B → C | NB | |
Absorbance | Analysis of Noisy Absorbance Data: A → B → C | NB | |
Consecutive Rx | Analysis of Two-Step Mechanism: A ⇋ B → C Model | NB | |
Pharmacokinetics | Dosing with Two-Compartment A ⇋ B → C Model | NB | |
NMR | Description of NMR as Energy Absorption Process | NB | |
NMR | Description of NMR by Vector Formalism: Bloch Equation | NB | |
NMR | Chemical Exchange: Forsen-Hoffman double resonance | NB Ver 6 NB Ver 4 |
|
NMR | Chemical Exchange: Line Shape Analysis | NB Ver 6 NB Ver 4 |
|
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 |
Electronic Journals at UCSB
Google Scholar Search Engine
Periodic Table of the Elements
Elements of Chemical Reaction Engineering
Pharmacokinetics and Biopharmaceutics