Bulletin of the American Physical Society
APS March Meeting 2018
Volume 63, Number 1
Monday–Friday, March 5–9, 2018; Los Angeles, California
Session B02: Self-assembly of Nanomaterials: Mechanisms of Structure Formation
11:15 AM–2:03 PM,
Monday, March 5, 2018
LACC
Room: 150B
Sponsoring
Unit:
DCP
Chair: James De Yoreo, Pacific Northwest National Laboratory
Abstract ID: BAPS.2018.MAR.B02.1
Abstract: B02.00001 : Building models for the initial stages of nucleation: CaCO3 revisited*
11:15 AM–11:51 AM
Presenter:
Christopher Mundy
(Pacific Northwest Natl Lab)
Authors:
Christopher Mundy
(Pacific Northwest Natl Lab)
Gregory Schenter
(Pacific Northwest Natl Lab)
A more difficult task is to provide the quantitative molecular information that is needed to describe both the structure of the relevant clusters and thermodynamics that precedes nucleation.
Herein, we present a molecular model of nucleation based on the details of ion-pairing under dilute solution conditions. With this assumption, we can construct a coarse-grained representation
that allows for the determination of converged cluster populations and a concomitant solution model that can be directly compared with xray
absorption and titration measurements. The conclusions based on this model is that the nucleation of CaCO3 proceeds classically with the dominant solution species being single ions and their pairs.
Moreover, there is no need to use concepts such as pre-nucleation clusters to explain the pathways that precede nucleation for CaCO3.
This work was supported by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences.
*Department of Energy (DOE) Basic Energy Sciences (BES) Chemical Sciences, Geosciences, and Biosciences Division
DOE BES Materials Sciences and Engineering Division
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2018.MAR.B02.1
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