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Rate Benchchemical kinetics, worked

Instrument 01

Order finder

Concentration against time in; the order, k and half-life out, with all three plots.

This is the instrument’s sample run (demo numbers). Change anything and press Run, or start from an empty form.

Input

Runs of up to 40 data rows (Bench Pass limit, free during preview).

The first line, “t (s), [A] (M)”, was read as column titles and skipped.

Result

First order in A

Rate law
rate = k[A]
k
5.00 × 10−3 s−1
[A]0 (fitted)
0.100 M
t½ from [A]0
139 s
[A] at t = 750 s
2.35 × 10−3 M
Time to [A] = 0.001 M
921 s

All three plots

Zero orderR2 0.8909
010020030040050000.020.040.060.080.10t (s)[A]
[A] = [A]0 − kt
First orderR2 1.0000
0100200300400500-5-4-3-2t (s)ln [A]
ln [A] = ln [A]0 − kt
Second orderR2 0.8910
01002003004005000255075100125t (s)1/[A]
1/[A] = 1/[A]0 + kt

The working

Intermediate values are carried to six significant figures; results are rounded to three at the end.

  1. Each plot was fitted with a least-squares straight line through all 6 readings:
    PlotSlopeInterceptR2
    [A] vs t−1.75657 × 10−40.08416230.8909
    ln [A] vs t−5.00032 × 10−3−2.302581.0000
    1/[A] vs t0.21402−4.465830.8910
  2. The straightest line (highest R2) is ln [A] against t, the first order plot: ln [A] = ln [A]0 − kt.
  3. For first order the slope is −k, so k = −(−5.00032 × 10−3) = 5.00 × 10−3 s−1.
  4. The intercept gives [A]0: [A]0 = eintercept = e−2.30258 = 0.100 M.
  5. Half-life: t½ = ln 2 / k = 0.693147 / (5.00032 × 10−3) = 139 s.
  6. [A] at t = 750 s: ln [A] = ln [A]0 − kt = −2.30258 − (5.00032 × 10−3 × 750) = −2.30258 − 3.75024 = −6.05282, so [A] = e−6.05282 = 2.35 × 10−3 M.
  7. Time to [A] = 0.001 M: t = ln([A]0/[A]) / k = ln(0.100001 / 0.001) / (5.00032 × 10−3) = 4.60518 / (5.00032 × 10−3) = 921 s.
The 6 readings as used
t (s)[A] (M)ln [A]1/[A] (M−1)
00.1000−2.3025910
1000.06065−2.8026416.488
2000.03679−3.3025327.1813
3000.02231−3.8027244.8229
4000.01353−4.3028573.9098
5008.208 × 10−3−4.80265121.832

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