Using Molecular Modelling to Understand and Predict the Impact of Organic Additives as Crystal Growth Modifiers

Using Molecular Modelling to Understand and Predict the Impact of Organic Additives as Crystal Growth Modifiers

Empirical molecular modelling was used to investigate the impact of organic additives on crystal morphology and inhibition. The replacement energy was found to correlate reasonably well with the degree of inhibition as determined from conductivity data. The replacement energy was also able to predic...

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Bibliographic Details
Main Authors: Jones, Franca, Rohl, Andrew
Format: Journal Article
Language:English
Published: CSIRO PUBLISHING 2020
Subjects:
Science & Technology
Physical Sciences
Chemistry, Multidisciplinary
Chemistry
BARIUM-SULFATE PRECIPITATION
PHOSPHONATE MOLECULES
ATOMISTIC SIMULATION
DYNAMICS SIMULATIONS
INORGANIC INTERFACE
SURFACE-STRUCTURE
CALCIUM-IONS
CRYSTALLIZATION
INHIBITORS
ACID
Online Access:http://hdl.handle.net/20.500.11937/80956

Internet

http://hdl.handle.net/20.500.11937/80956

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