Thermodynamic and Kinetic Parameters for Calcite Nucleation on Peptoid and Model Scaffolds - a Step Toward Nacre Mimicry.

To establish an approach for a bulk upscaling of a composit material consisting of calcium carbonate and tunable peptoids we here combined three distinct approaches to thoroughly access the underlying kinetic and thermodynamic driving forces for CaCO3 formation on peptoid polymers. We derived the net interfacial free energy for calcite formation on the nanosheets and self-assemblage monolayers of the sheets constituent functional groups (carboxyl, amine and a 1:1 mix) using: nucleation experiments, dynamic force spectroscopy and theoretical modeling (COSMO-RS). We applied nucleation theory to the results and obtain insight into conditions were we can obtain favorable nucleation conditions on the polymers in a highly controlled manner.