Finney, AR;
Innocenti Malini, R;
Freeman, CL;
Harding, JH;
(2020)
Amino Acid and Oligopeptide Effects on Calcium Carbonate Solutions.
Crystal Growth and Design
, 20
(5)
pp. 3077-3092.
10.1021/acs.cgd.9b01693.
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Abstract
Biological organisms display sophisticated control of nucleation and crystallization of minerals. In order to mimic living systems, deciphering the mechanisms by which organic molecules control the formation of mineral phases from solution is a key step. We have used computer simulations to investigate the effects of the amino acids arginine, aspartic acid, and glycine on species that form in solutions of calcium carbonate (CaCO_{3}) at lower and higher levels of supersaturation. This provides net positive, negative, and neutral additives. In addition, we have prepared simulations containing hexapeptides of the amino acids to consider the effect of additive size on the solution species. We find that additives have limited impact on the formation of extended, liquid-like CaCO_{3} networks in supersaturated solutions. Additives control the amount of (bi)carbonate in solution, but more importantly, they are able to stabilize these networks on the time scales of the simulations. This is achieved by coordinating the networks and assembled additive clusters in solutions. The association leads to subtle changes in the coordination of CaCO_{3} and reduced mobility of the cations. We find that the number of solute association sites and the size and topology of the additives are more important than their net charge. Our results help to understand why polymer additives are so effective at stabilizing dense liquid CaCO_{3} phases.
| Type: | Article |
|---|---|
| Title: | Amino Acid and Oligopeptide Effects on Calcium Carbonate Solutions |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1021/acs.cgd.9b01693 |
| Publisher version: | https://doi.org/10.1021/acs.cgd.9b01693 |
| Language: | English |
| Additional information: | © 2020 American Chemical Society. ACS AuthorChoice with CC-BY license (https://pubs.acs.org/page/policy/authorchoice_ccby_termsofuse.html). |
| Keywords: | Calcium, Inorganic carbon compounds, Cluster chemistry, Cluster ions, Ions |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science > Dept of Chemical Engineering |
| URI: | https://discovery.ucl.ac.uk/id/eprint/10099220 |
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