Amino Acids as Carbon Capture Solvents:

Chemical Kinetics and Mechanism of the Glycine + CO2 Reaction

Supporting Information

Dongfang Guo, Hendy Thee, Chun Y. Tan, Jian Chen, Weiyang Fei,
Sandra Kentish, Geoffrey W. Stevens, Gabriel da Silva*

* gdasilva@unimelb.edu.au
Speciation of Glycine as a function of pH and temperature-dependent pKa values

T (K) pKa
274 10.25
298 9.78
303 9.65
308 9.53
313 9.42
318 9.30
323 9.19
348 8.71

pH % Gly- % Gly0 % Gly+ pH % Gly- % Gly0 % Gly+

0.0 0.000 0.445 99.555 6.6 0.066 99.928 0.006
0.2 0.000 0.703 99.297 6.8 0.105 99.892 0.004
0.4 0.000 1.110 98.890 7.0 0.166 99.832 0.002
0.6 0.000 1.747 98.253 7.2 0.262 99.736 0.001
0.8 0.000 2.741 97.259 7.4 0.415 99.584 0.001
1.0 0.000 4.276 95.724 7.6 0.656 99.343 0.001
1.2 0.000 6.611 93.389 7.8 1.036 98.963 0.000
1.4 0.000 10.088 89.912 8.0 1.632 98.367 0.000
1.6 0.000 15.098 84.902 8.2 2.563 97.437 0.000
1.8 0.000 21.987 78.013 8.4 4.002 95.998 0.000
2.0 0.000 30.876 69.124 8.6 6.197 93.802 0.000
2.2 0.000 41.450 58.550 8.8 9.479 90.521 0.000
2.4 0.000 52.875 47.125 9.0 14.234 85.766 0.000
2.6 0.000 64.006 35.994 9.2 20.825 79.175 0.000
2.8 0.000 73.811 26.189 9.4 29.422 70.578 0.000
3.0 0.000 81.708 18.292 9.6 39.784 60.216 0.000
3.2 0.000 87.623 12.377 9.8 51.151 48.849 0.000
3.4 0.000 91.817 8.183 10.0 62.400 37.600 0.000
3.6 0.000 94.676 5.324 10.2 72.454 27.546 0.000
3.8 0.000 96.573 3.427 10.4 80.653 19.347 0.000
4.0 0.000 97.810 2.190 10.6 86.854 13.146 0.000
4.2 0.000 98.607 1.393 10.8 91.283 8.717 0.000
4.4 0.000 99.116 0.883 11.0 94.317 5.683 0.000
4.6 0.001 99.440 0.559 11.2 96.337 3.663 0.000
4.8 0.001 99.645 0.354 11.4 97.657 2.343 0.000
5.0 0.002 99.775 0.223 11.6 98.509 1.491 0.000
5.2 0.003 99.856 0.141 11.8 99.054 0.946 0.000
5.4 0.004 99.907 0.089 12.0 99.401 0.599 0.000
5.6 0.007 99.937 0.056 12.2 99.621 0.379 0.000
5.8 0.010 99.954 0.035 12.4 99.761 0.239 0.000
6.0 0.017 99.961 0.022 12.6 99.849 0.151 0.000
6.2 0.026 99.960 0.014 12.8 99.905 0.095 0.000
6.4 0.042 99.949 0.009 13.0 99.940 0.060 0.000
Observed rate constants as a function of glycine/alanine concentration at 25 oC
(cf. Figure 2)

[Gly-] / mM k obs / s-1 [Ala-] / mM k obs / s-1

1.920 23.78 1.561 12.02
2.191 28.13 2.163 15.07
2.843 37.99 2.441 15.94
3.463 48.15 3.078 19.86
4.179 56.50 3.520 21.61
4.983 66.37
Corrected observed rate constants for Gly- + CO2 as a function of temperature
(cf. Figure 5)

25.5 C 30 C
[Gly-] / mM k' obs / s-1 [Gly-] / mM k' obs / s-1
1.920 23.64 1.591 25.13
2.191 27.98 1.771 28.54
2.843 37.78 2.344 39.51
3.463 47.87 2.928 49.96
4.179 56.14 3.536 57.86
4.983 65.89 4.314 79.57

35.2 C 40 C
[Gly-] / mM k' obs / s-1 [Gly-] / mM k' obs / s-1
1.213 24.03 0.950 23.05
1.390 28.55 1.073 26.11
1.906 41.09 1.516 39.91
2.390 55.87 1.920 54.43
2.914 68.01 2.328 67.58
3.621 88.72 2.990 87.01
Observed rate constants for Gly- + CO2 from WWC experiments
(cf. Figure 8)

- 62 °C
[Gly ] / M k obs k 'obs
0.12562 8465.88015 8427.16789
0.65856 66088.12864 66040.50215
1.24883 106910.4118 106505.0446
1.71198 160222.2082 159734.8496

- 53 °C
[Gly ] / M k obs k 'obs
0.1667 11368.02289 11345.85019
0.63411 46085.49383 46015.37759
1.20681 81967.72593 81783.30144
1.72133 127169.3478 126883.7081