Abstract
The effects of disodium malonate, disodium succinate, disodium glutarate, and disodium adipate on the crystal habit of calcium sulfate α-hemihydrate (CaSO4·0.5H2O, α-CSH) were studied using experimental studies and molecular dynamics simulations. The calculation and experimental results provided insight into the mechanism of the interaction between the additives mentioned above and the different faces of α-CSH that dominate the morphology of α-CSH. The calculation results indicated that the formation of high-aspect-ratio α-CSH, namely, calcium sulfate α-hemihydrate whiskers (α-CSH whiskers), in aqueous solution was due to the interaction between liquid water and side faces of the α-CSH crystal, which inhibits the growth of α-CSH along the radial direction. However, when a trace amount of crystal habit modifier, such as disodium succinate or disodium glutarate, was added to the aqueous solution, the growth rates along the directions normal to the {0 0 1} and {1 1 4} faces were considerably inhibited. Thus, α-CSH crystals with a low aspect ratio were synthesized using a hydrothermal method. In addition, the calculation methodology used in this work could provide a powerful tool for selecting suitable crystal habit modifiers for preparing α-CSH and other inorganic crystals.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.