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Excel workshop: Rate law and Activation energy determination

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1 Excel workshop: Rate law and Activation energy determination
Giovanni Cruz

2 Reaction Rate Disappearance of reactant or appearance of product
Dependence of amount of initial reactant A + B  AB rate α [A]p or rate α [B]q or rate α [A]p [B]q or rate α [AB]r rate =k [A]p [B]q p and q are orders for A and B

3 Reaction Rate

4 Specific rate constant (k)
rate =k [A]p [B]q Determined experimentally Varies with temperature and catalyst Independent of reactant concentration

5 Parameters [A] will differ in each reaction
Experiment perform at two temperature rate= k [A]p[B]q keeping [B] constant rate= k’ [A]p rate= -Δ[B]/Δt or rate= appearance of [AB]/Δt

6 Determination of Reaction Order, p, and Rate constants, k’
rate =k’ [A]p log(rate) = log k’ + p log [A] y= b + m x y-intercept = log k’

7 Activation Energy (Ea)
Minimal energy to star a reaction. Arrhenius equation k=Ae-Ea/RT R: Gas constant (8.314 J/mol K) A: collision parameter k: Specific rate canstant

8 Determination of Ea k=Ae-Ea/RT k1/k2 = (Ae-Ea/RT1) /(Ae-Ea/RT2)
ln (k1/k2)= - Ea/R (1/T1 – 1/T2) Ea= - [R ln (k1/k2) ]/ (1/T1 – 1/T2)

9 Experiment Data from the experiment Temperature C° Reaction time (s)
Volumes of reactants (mL)

10 Data Analysis and calculation

11 Sorting data

12 Molarity calculation M1V1=M2V2 M1V1=M2 V2

13 log [A] cal. rate and log [rate] cal. rate= [B]/s

14 Set table and add trendline

15 Arrange and label axis

16

17 Determination of Ea

18 Ea= - [R ln (k1/k2)] / (1/T1 – 1/T2)

19 Calculation of 1/t1-1/t2

20 Calculation of ln[k1/k2]

21 Verifying calculations
Ea= - [R ln (k1/k2)] / (1/T1 – 1/T2)

22 Results


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