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Mode of Action and Design Rules for Additives That Modulate Crystal Nucleation
Author(s) -
Anwar Jamshed,
Boateng Papa Kofi,
Tamaki Reiko,
Odedra Sheetal
Publication year - 2009
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200804553
Subject(s) - nucleation , steric effects , chemical physics , molecular dynamics , materials science , crystal (programming language) , nanotechnology , chemistry , computational chemistry , thermodynamics , physics , computer science , stereochemistry , programming language
Molecular dynamics simulations reveal that the key factors that determine the ability of an additive to modulate crystal nucleation are the strength of its interaction with the solute, its disruptive ability (which may be based on steric, entropic, or energetic effects), and interfacial properties, along with its ability to serve as a template for nucleation (see snapshot of an emerging nucleus with a single‐particle additive: black spheres).