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ITK-329 Kinetika & Katalisis (3 SKS)

ITK-329 Kinetika & Katalisis (3 SKS). Dicky Dermawan www.dickydermawan.net78.net dickydermawan@gmail.com. Sylabus. Review on basic concept & terminology Methods in collecting & analysis of rate data Interpretation of batch reactor data Nonelementary reaction kinetics

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ITK-329 Kinetika & Katalisis (3 SKS)

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  1. ITK-329Kinetika & Katalisis(3 SKS) DickyDermawan www.dickydermawan.net78.net dickydermawan@gmail.com

  2. Sylabus • Review on basic concept & terminology • Methods in collecting & analysis of rate data • Interpretation of batch reactor data • Nonelementary reaction kinetics • Heterogeneous reaction kinetics

  3. Textbooks & References • RI Masel, Chemical Kinetics & Catalysis, Wiley (2001) • HS Fogler, Elements of Chemical Reaction Engineering, PHPTR (1999) • CG Hill, Kinetics & Reactor Design (1977) • O. Levenspiel, Chemical Reaction Engineering, 2nd ed., Wiley (1972)

  4. Score & Grade • 20 4 all homework & quiz • 25 4 1st midterm exam • 25 4 2nd midterm exam • 30 4 final term examination • A 4 74.5 ++ • B 4 59.5 ++ • C 4 49.5 ++ • D 4 39.5 ++

  5. Auxiliary: Computer Programs • Microsoft Excel • MathCAD

  6. Chapter 1 Review on Chemical Kinetics Basic Concept & Terminology Dicky Dermawan

  7. Common Jargon (1) • Rate of reaction • Rate equation, rate law, kinetic expression • Empirical vs Mechanistic) • Reaction order: first order, second order, half order, etc. overall order, pseudo- • Rate constant • Preexponential • Activation barrier, activation energy • Arrhenius’ law

  8. Common Jargon (2) • Homogeneous reaction • Heterogeneous reaction • Elementary reaction • Nonelementary reaction • Reaction Mechanism • Molecularity • Molecular Dynamics • Catalyst & Inhibitor

  9. Rate of Reaction & Stoichiometry Example: Ethane emissions from cars: 7 O2 + 2 C2H6 4 CO2 + 6 H2O

  10. Factors Affecting Reaction Rate (acc. 2 Van’t Hoff) • Concentrations of all of the reactants, products, and other species in the system • Temperature • The presence of solvents • The presence of catalysts

  11. Effect of Concentration Comparing First- and Second- Order Reactions Consider a first-order reaction and a second-order reaction: How much would the rate change if you diluted the reactants by a factor of 3? Determining Reaction Order Under some conditions the platinum-catalyzed reaction: CO + ½ O2 CO2 Follows the rate equation: What is the order of the reaction? If K2CCO >> 1, what is the order of the reaction? If K2CCO << 1, what is the order of the reaction?

  12. Usually …first order 3.molecule-1.sec-1 …second order 6 .molecule-2 .sec-1 …third order Effect of Temperature Perrin (1919): Arrhenius’ law applies only to elementary reactions, NOT OVERALL Ea [=] kcal/mole Ea [=] kcal/molecule Still, Dunbar, McMahon (1998):

  13. Fitting Data 2 Equation 2.23 Yang, Lee & Wang, Int. J. of Chemical Kinetics, 27, (1995), 1111 examined the rate of the reaction: NCO + NO2 CO + 2 NO As a function of temperature. Their data are given in Table P2.23. In the table, the rate constant is defined as rate/([NCO][NO2]) and is measured in units of 10-11 cm3/(molecule.second) Are the units of the rate constant correct? Fit the data to Arrhenius’ law. How well do they fit? Is the fit improved with Still,Dunbar,McMahon eqn? How do you interpret the sign of the activation barrier? On the basis of your fits and the error bars in Excel, how much confidence do you have in the value of the activation barrier?

  14. Fitting Data 2 Equation 2.24 Eberhard & Howard, Int. J. of Chemical Kinetics, 28, (1996) 731 examined the rate of the reaction CH3CH2OO + NO  H3CH2O + NO2 As a function of temperature. Their data are given in Table P2.24. In the table, the rate constant is defined as rate/([CH3CH2OO][NO]) and is measured in units of 10-12 cm3/(molecule.second) Are the units of the rate constant correct? Fit the data to Arrhenius’ law. How well do they fit? Is the fit improved with Still,Dunbar,McMahon eqn? How do you interpret the sign of the activation barrier? On the basis of your fits and the error bars in Excel, how much confidence do you have in the value of the activation barrier?

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