An Algorithm for Determination of the Size-Dependent breakage frequency of droplets, flocs and aggregates

1991 ◽  
Vol 8 (1-4) ◽  
pp. 315-322 ◽  
Author(s):  
Yu-Chen Chang ◽  
Richard V. Calabrese ◽  
James W. Gentry
Keyword(s):  
1994 ◽  
Vol 349 ◽  
Author(s):  
Andrew A. Quong ◽  
Mark R. Pederson

ABSTRACTWe use the local-density-approximation to the density-functional theory to determine the axial polarizabilities of fullerene tubules as a function of length and winding topologies. Specifically, we present linear polarizabilities for tubules of composition C12H24, C36H24, C40H20 and C60H24. The size-dependent variation in the dipole-coupled gaps between pairs of occupied and unoccupied levels leads to enhancements in the polarizability per valence electron as the length of the tubule increases. The results are compared to recent densityfunctional based calculations of the linear and nonlinear polarizabilities for fullerene and benzene molecules.


1998 ◽  
Vol 32 (11) ◽  
pp. 1615-1622 ◽  
Author(s):  
Peter F. Caffrey ◽  
John M. Ondov ◽  
Maria J. Zufall ◽  
Cliff I. Davidson

2021 ◽  
Author(s):  
Zetan Cao ◽  
Jia He ◽  
Zhiwen Liu ◽  
Haoran Zhang ◽  
Bin Chen

Abstract Chirality involved reactions enable to probe features in the fields of asymmetric synthesis and catalysis, which allow to gain insight into the fundamental mechanisms of topochemically controlled reactions. However, in situ observation of the chirality-associated reaction dynamics with simultaneous structural determination of new features has been lacking. Here, we report the direct visualization of the electron-beam-stimulated reaction dynamics of HgS nanostructures with chiral and achiral morphologies simultaneously in both real and reciprocal space. Under the electron-beam excitation of HgS nanostructures, the formation and evaporation dynamics of Hg nanodroplets were vividly pictured while the reciprocal space imaging revealed the structural transformation from monocrystalline to polycrystalline. Such induced changes were size-dependent, which were slowed down when involving the chirality in the nanostructures. The finding offers a fundamental understanding of topochemically controlled reaction mechanisms and holds promise of tuning asymmetric synthesis for catalysis related applications.


2020 ◽  
Author(s):  
Gábor Bortel ◽  
Éva Kováts ◽  
Dávid Földes ◽  
Emma Jakab ◽  
Gábor Durkó ◽  
...  

The limited success in the prediction of structure is one of the most serious problems in the engineering of molecular crystals. Here we show that the packing of high-symmetry molecules such as ball-shaped rotating fullerenes, cube-shaped cubane and octahedral-shaped mesitylene dimers give rise to the formation of cubic cocrystals with easily predictable lattice parameters. We present the synthesis and structure determination of Sc3N@C80-Ih cocrystals with cubane (C8H8) and mesitylene (C9H12) and compare the new materials with related C60 and C70 based structures. In this family of materials, most atom-to-atom interactions are averaged out by the symmetry and the crystal structures can be described in terms of classical molecule-to-molecule interactions. Size-dependent homo- and heteromolecular contacts control the stability of the ball-cube and ball-octahedron systems creating several host-guest and recognition-controlled regions. The analysis of the global phase diagrams explains not only the stability of the observed materials, but also the instability of a missing derivative.


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