TY - JOUR
T1 - On dimerization kinetics and boundary layer transport in crystal growth from dimers
AU - Zadeh, Armin Shayesteh
AU - Peters, Baron G.
N1 - The authors thank Chris Burcham and Peter Vekilov for stimulating discussions. The authors thank Eli Lilly for supporting this work through the Digital Design 2020 project . All authors approved version of the manuscript to be published.
PY - 2023/1/1
Y1 - 2023/1/1
N2 - Many molecular crystals are comprised of centrosymmetric dimer motifs. In several cases, these are thought to grow by direct incorporation of dimerized units rather than from monomers. In this work, we model the effects of the dimerization kinetics in the boundary layer close to the crystal surface on the rate of crystal growth. We identify three dimensionless parameters that relate diffusivity through the boundary layer, dimerization kinetics, and dimer incorporation kinetics to estimate the extent to which dimerization kinetics impede the crystal growth from dimers.
AB - Many molecular crystals are comprised of centrosymmetric dimer motifs. In several cases, these are thought to grow by direct incorporation of dimerized units rather than from monomers. In this work, we model the effects of the dimerization kinetics in the boundary layer close to the crystal surface on the rate of crystal growth. We identify three dimensionless parameters that relate diffusivity through the boundary layer, dimerization kinetics, and dimer incorporation kinetics to estimate the extent to which dimerization kinetics impede the crystal growth from dimers.
KW - A1. Boundary layer
KW - A1. Centrosymmetric dimers
KW - A1. Diffusion-controlled reaction
KW - A1. Dimerization
KW - A2. Growth from solutions
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U2 - 10.1016/j.jcrysgro.2022.126913
DO - 10.1016/j.jcrysgro.2022.126913
M3 - Article
AN - SCOPUS:85141225253
SN - 0022-0248
VL - 601
JO - Journal of Crystal Growth
JF - Journal of Crystal Growth
M1 - 126913
ER -