Modeling of self-assembly

Linse P (2000) Modelling of self-assembly of block copolymers in selective solvent. In Alexandridis P, Lindman B (eds) Amphiphilic block copolymers self assembly and applications. Elsevier, Amsterdam... 

Although electron microscopy is always interpreted with care and caution, because of the possibility of artifacts, a picture is always of value in developing models of self-assembly products. In self-assembly experiments it is important to stop the process of self-assembly so that direct visualization... 

As far as simple modelling of self-assembly is concerned, the treatment of single component lipid molecules given here has probably been pushed as far as it can. The refinement of our theory of self-assembly requires a proper examination of Stern layers, consequences of deviations from liquid-like properties of hydrocarbon chains, head group steric elfects, specific ion adsorption and other effects. While such a more rigorous analysis would undoubtedly provide specific insights into the properties of particular molecules, it is doubtful if a more refined theory will provide a better overview. 

Fig. 2 LEED pattern, STM images, and schematic models of self-assembled PTCDA mono-layers on Ag(l 1 1) (top) and Ag(l 1 0) (bottom). The layers show a different symmetry due to the different symmetry of the substrate. Scan sizes are 4.5 x 4.5 nm (top) and 4.4x4.4nm (bottom) (from [8])...

We note that the area of modehng the self-assembly of quantum dots is very active. Various numerical methods have been developed for the solution of the evolution equation for the film surface shape that include non-local elastic effects and anisotropy, such as phase-field methods, finite element methods and others [31]. Also, numerous investigations are devoted to atomistic modeling of self-assembly of quantum dots, as well as to the combination of modeling at small and large scales. These investigations are reviewed in [32]. 

Fig. 1 Model of self-assembling of clay mineral particles (represented as gray slabs) and PDDA (represented as thin curled lines) on a substrate. (A) PDDA only (B) PDDA + clay mineral particles in the presence of water and (C) dried film of PDDA + clay mineral particles.

Figure 1 Models of self-assembling strategies used in nanotube formation.

The results are consistent with a variety of hypothetical models of self-assembled structures that depend on both e chemical conqiosition (i.e., conqiatibility of different copolymer conqionents), as well as molecular size. 

FIGURE 16.3 (a) Peptide /7-octiphenyl conjugate 5. Molecular models of self-assembled... 

Figure 7 Schematic model of self-assembling process of synthetic cellulose on the surface of enzyme associations diffusion of monomers to active sites of the enzyme aggregate (a), which synthesizes cellulose molecules (b) and self-assembles them In situ Into dendritic cellulose aggregates with Dm = 2.1 and Ds = 2.3 in the reaction medium around the enzyme aggregates (c) The cellulose aggregates eventually growing into the dome (d). The cellulose aggregate surrounding the enzyme association has enough free space for diffusion of monomers from the reaction medium into the active sites and for diffusion of terminated polymers from the active sites Into the reaction medium as shown in part (e) and discussed in Section 2.13.3.2. From Tanaka, H. Koizumi, S. Hashimoto, T. et al. Macromolecules 2007, 40, 6304-6315. ...

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