INGENIA

ORG-09

Arrhenius (organic)

k = A exp(−Ea/RT) for an organic elementary step.

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KineticsArrhenius

Governing equation

k=Aexp⁡(−Ea/RT)k=A\exp(-E_a/RT)

T∈[250,500]T \in \left[250, 500\right]

where

A
Pre-factor (1/s)
E_a
Activation energy (kJ/mol)
T
Temperature (K)
k
Rate constant (1/s)

The figure, part by part

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ORG-09 · reactor
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①

Governing law — red

k=Aexp⁡(−Ea/RT)k=A\exp(-E_a/RT)

T∈[250,500]T \in \left[250, 500\right]

T=250T = 250k=1.74×10−7k = 1.74\times 10^{-7}

②

Domain of the variable — blue

Tmin⁡=250,Tmax⁡=500T_{\min} = 250,\quad T_{\max} = 500

T∈[250,500]T \in \left[250, 500\right]

T=250T = 250T=250T = 250

③

Response curve — green

k=Aexp⁡(−Ea/RT)k=A\exp(-E_a/RT)

T∈[250,500]T \in \left[250, 500\right]

T=250T = 250k=1.74×10−7k = 1.74\times 10^{-7}

④

Rate of change — amber

dkdT\frac{\mathrm{d}k}{\mathrm{d}T}

T∈[250,500]T \in \left[250, 500\right]

T=251.6T = 251.6k′=3.66×10−8k^{\prime} = 3.66\times 10^{-8}

Lecture brief

Historical brief

Hammett (1937) and Taft linear free-energy, E-factor green metrics, Woodward–Fieser UV and Claisen equilibria are how organic chemistry became predictive. The lab is substituent, waste and tautomer. This sheet (ORG-09 — Arrhenius (organic)) is the form associated with Arrhenius. Working symbols: AA, EaE_a, TT →\rightarrow kk. Typical Ea: SN2 ~ 80 kJ/mol, radical H-abstraction ~ 30–40, Diels–Alder ~ 80–100.

Purpose

Purpose: compute kk from AA, EaE_a, TT in Organic chemistry via k=Aexp⁡(−Ea/RT)k=A\exp(-E_a/RT) k = A exp(−Ea/RT) for an organic elementary step. Use it when a real organic chemistry question must be answered in SI before a code check.

Live realistic example

In symbols

Live case. Given A=1.000e+11 1/sA = 1.000e+11\,\mathrm{1/s}, Ea=85.000 kJ/molE_a = 85.000\,\mathrm{kJ/mol}, T=350.000 KT = 350.000\,\mathrm{K}, the governing relation k=Aexp⁡(−Ea/RT)k=A\exp(-E_a/RT) yields k=0.020639 1/sk = 0.020639\,\mathrm{1/s}. Constant A, Ea. T in kelvin. Move a slider: the numbers are this situation, not a canned story.

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Outputs

  • Rate constant k0.020639 1/s
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Narration of this film

Constant A, Ea. T in kelvin.

Typical Ea: SN2 ~ 80 kJ/mol, radical H-abstraction ~ 30–40, Diels–Alder ~ 80–100.

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