Journal
FERROELECTRICS
Volume 306, Issue -, Pages 195-208Publisher
TAYLOR & FRANCIS LTD
DOI: 10.1080/00150190490460849
Keywords
barium titanate; nanoparticles; colloidal processing; rational design of dispersants; molecular modeling; force field methods; ab-initio quantum chemical computations; phosphate ester
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A molecular modeling based approach to design/selection of dispersants in colloidal processing for advanced ceramics applications is presented. The validity and utility of the proposed approach is illustrated with an example of the dispersion of nano-particles of barium titanate by a variety of commercial dispersants including fatty acids and phosphate esters.
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