1_Kinetic%20modeling

1_Kinetic%20modeling - Kinetic analysis of molecular and...

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1 Kinetic analysis of molecular and cellular interactions Kinetics is the study and understanding of the rate of reactions. Rate of chemical reactions Conservations of mass and energy. Key elements in kinetic analysis of chemical reactions Calculus and ODEs - See math appendix posted on the blackboard I. Mass conservation in chemical reactions Total mass = Constant A + B  P [ ]: molar concentration, mol/L = M dt ] B [ d dt ] A [ d dt ] P [ d 1 1 1 if solution volume V = constant, which is approximately true in dilute solution. n A = n A0  n B = n B0  n P = n P0 +  products ts tan reac elements elements dt d V v 1 i.e., independent of individual reactants and products
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2 II. Rate of chemical reactions Reaction rate R rate of concentration change divided by the stoichiometric coefficient in the balanced chemical reaction and is positive for products and negative for reactants. hydrogen H 2 + iodine I 2 2 hydrogen iodide HI dt ] HI [ d dt ] I [ d dt ] H [ d v 2 1 2 2 rate of H 2 consumption rate of I 2 consumption Half rate of HI production (1) Rate law Rate of reaction = function(concentrations) • It is determined either experimentally or theoretically. ADP + P i ATP + H 2 O ATPase (1) ] ATP [ K ] ATP [ ] E [ k v m 0 (observed and can be modeled.) (2) 2HBr H 2 + Br 2 ] Br /[ ] HBr [ ] Br [ ] H [ k v 2 2 2 1 (observed and can be modeled.) (2) Rate of reaction in elementary reactions Elementary reaction: chemical reactions through direct interactions of reactants. (a) The elementary steps are the mechanisms of a complex reaction, i.e., how it occurs. Rate of elemenaty reaction frequency or probability of simultaneous collisions between reacting molecules product of concentrations of reactants.
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This note was uploaded on 01/17/2010 for the course BME 100 taught by Professor Yuan during the Fall '07 term at Duke.

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1_Kinetic%20modeling - Kinetic analysis of molecular and...

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