Growth modification of seeded calcite using carboxylic acids: Atomistic simulations

Molecular dynamics simulations predict differences in calcite growth modification by polyacrylic acid and polyaspartic acid to be a combination of complexing ions in solution, adsorption free energies and adsorption conformations. Molecular dynamics simulations were used to investigate possible expl...

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Veröffentlicht in:	Journal of colloid and interface science 2010-06, Vol.346 (1), p.226-231
Hauptverfasser:	Aschauer, Ulrich, Spagnoli, Dino, Bowen, Paul, Parker, Stephen C.
Format:	Artikel
Sprache:	eng
Schlagworte:	Acrylic Resins - chemistry Adsorption Atomistic simulation Availability Backbone Calcite Calcium carbonate Calcium Carbonate - chemical synthesis Calcium Carbonate - chemistry Chemistry Exact sciences and technology Free energy General and physical chemistry Guidelines Models, Molecular Molecular Dynamics Simulation Particle Size Peptides - chemistry Polycarboxylic acids Simulation Surface chemistry Surface physical chemistry Surface Properties Time Factors
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