Chemistry and Differential Equations

What happens when equations in the real world are not linear?

Importance
Chemists occasionally run tests on chemical kinetics. Currently, many chemists are looking into the effectiveness of catalysts, to increase the yield of ethanol production or

Current Applications
Supposedly 90% of commercially produced chemical products involve catalysts during manufacturing. Petroleum refining, biodiesel, and fuel cells all rely on some sort of catalytic reaction.

Simple Chemical Kinetics

Michaelis-Menten Kinetics
Givens: K1

Difficulties K2
System of equations is not linear. Law of Superposition does not apply.

E + S ESE+P K-1

Fromthe law of

m action: ass
d[S]/dt=-k1[E][S]+k-1 [ES] d[E]/dt=-k1[E][S]+k-1 [ES] +k2[ES] d[ES]/dt=k1[E][S]-k-1 [ES]-

Ramifications
Much more difficult to solve. Variation of parameters and undetermined

Michaelis-Menten Kinetics
Assumptions
Reaction is in Equilibrium Assume a Steady-State Assume that the maximum reaction rate occurs when the enzyme is completely used

Equilibrium Reaction
Assumptions:
The ratio of substrate (S) to enzyme (E) is very large. All enzymes bind as much substrate as possible. No enzymes are damaged and lose their ability to react.

Implications:
Reaction rate at time t=0 is practically zero so V0 = K2[ES], where V0 is the production rate at time t=0.

Steady-State Assumption
Assumptions:
The concentration of the enzymesubstrate intermediate (ES) is constant.

Implications:
This is only true when the formation and deformation rates for ES are equal or: K1 [E][S] = (K-1 + K2) [ES] Also, [E] = [ET] [ES] where [ET] is the total enzyme concentration.

Maximum Rate Assumption

Assumptions:
Maximum rate is obtained when the enzyme is saturated with substrate.

Implications
Maximum rate is achieved if [ES] = [ET].
[ES] = enzyme substrate concentration [ET] = total enzyme concentration [E] = free enzyme concentration

Putting It All Together

Givens: K1 K2 E + S ESE+P K-1

Implications: V0 = K2[ES] (5) K1 [E][S] = (K-1 + K2) [ES] (6)

Maximum rate is achieved if [ES] = [ET] (7) [E] = [ET] [ES] (8)

Fromthe law of

m action: ass
d[S]/dt=-k1[E][S]+k-1 [ES] (1) d[E]/dt=-k1[E][S]+k-1 [ES] +k2[ES] (2) d[ES]/dt=k1[E][S]-k-1 [ES]-

Putting It All Together

Practicality of MichaelisMenten
It is much easier to regulate and monitor the substrate concentration than it is to monitor the rate of product formation. The theory allows chemists to find optimum substrate concentrations quickly and allows them to avoid solving nonlinear differential equations.

Conclusion
Differential equations are applied to kinetics models in chemical reactions. Carefully placed assumptions and conditions allow for the simplification of complex systems. More complicated and real-world chemical reactions may require one to solve nonlinear differential equations. Linear differential equations are the tip of the iceberg when it comes to the world of differential equations.

Sources:

Lehninger Principles of Biochemistry http://www.engr.ucr.edu/news/2010news.html http://en.wikipedia.org/wiki/Catalyst#cite_note-9 http:// www.lawrencepumps.com/industries/petroleum.htm http:// www.uwsp.edu/chemistry/tzamis/chem10609home.h Notes of Jeremy Lai