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. Author manuscript; available in PMC: 2018 Nov 21.
Published in final edited form as: Environ Sci Technol. 2017 Nov 11;51(22):13205–13215. doi: 10.1021/acs.est.7b02661

Table 5.

Reaction 1 summary of Brønsted plot and estimated parameters (25°C, I = 0.1 M).

Acid
Catalyst
pKa p q log(Kaqp) Model Implemented
K1a±95% CId
Brønsted
Plot
k1 (M−2 s−1)
Model Estimated
log(k1p)
Br0nsted Estimated
log(k1p)
H2O 15.52 2 3 −15.34 1.1±0.095 2.0×10−2b −2.0
HPO42− 11.71 1 4 −11.11 12 12 1.1
HCO3 9.88 1 3 −9.40 200±6.6 200 2.3
NH4+ 9.24 4 1 −9.84 98±14 98 1.4
H2PO4 6.75 2 3 −6.57 (3.4±0.044)×105 3.4×105 5.2
H+ −1.74 3 2 1.56 (6.8±0.82)×108 6.8×108 8.4
H2CO3 3.23e 2 2 −3.23 2.4×103 1.9×106c 6.0
H3PO4 1.93 3 2 −2.11 1.4×107 1.4×107 6.7
K1 2.1±0.024
a

Model k1 values are in M−2 s−1 except H2O which is in M−2 s−1 and k1 which is the equilibrium constant for reactions 1 and −1

b

Model k1 divided by 55.5 M to arrive at Br0nsted k1

c

Model k1 is based on H2CO3 ; therefore, model k1 value was multiplied by 795,[H2CO3][H2CO3] , to arrive at Br0nsted k1

d

95% confidence interval (CI) provided for model estimated parameters only

e

pKa is for true H2CO3 concentration