Arrhenius Calculations
1. Calculation Practice
T = 298 K
Ea = 35,500 J mol-1
k = Ae-Ea/RT = 2.48×108 × e-(35500)/(8.31 × 298)
k = 2.48×108 × 5.95×10-7
k = 147.5
T = 273 K
A = k / e-Ea/RT = 4.2×10-8 / e-(92400)/(8.31 × 273)
A = 4.2×10-8 / 2.04×10-18
A = 2.05 x 1010
T = 293 K
ln k = ln A – Ea/RT
Ea = RT(ln A – ln k) = 8.31 × 293 × ln(3.51×107 / 8.82×10-4)
Ea = 2434.83 × 24.41
Ea = 59437 J mol-1 = 59.4 kJ mol-1
A = k / e-Ea/RT = 2.28×10-2 / e-(24000)/(8.31 × 298)
A = 2.28×10-2 / 6.18×10-5
A = 369
ln(A/k) = Ea/RT
T = Ea / (R × ln(A/k))
T = 88000 / (8.31 × ln(4.00×109 / 1.10×10-2))
T = 88000 / (8.31 × 26.62)
T = 398 K
2. Complex Calculations
Step 1: Calculate k at 298 K (25oC)
k1 = 1.66×1010 × e-62500/(8.31×298) = 0.182
Step 2: Calculate T for double the rate (k2 = 0.364)
T2 = Ea / (R × ln(A/k2))
T2 = 62500 / (8.31 × ln(1.66×1010/0.364))
T2 = 62500 / (8.31 × 24.54) = 306.4 K
Step 3: Difference
Difference = 306.4 – 298 = 8.4 K (or 8.4oC)
Ratio kcat / kuncat = 20,000
ln(20000) = (Ea,uncat – Ea,cat) / RT
9.903 = (120000 – Ea,cat) / (8.31 × 298)
24524 = 120000 – Ea,cat
Ea,cat = 120000 – 24524 = 95476 J mol-1
Ea,cat = 95.5 kJ mol-1