Molecular simulation of cross-nucleation between polymorphs

Article Abstract:

The study employs several molecular dynamics simulations to understand and observe the phenomenon of cross nucleation, a process wherein an early nucleating crystalline structure or polymorph nucleates into another polymorph. The results indicate that a stable polymorph on a metastable polymorph is similar to cross nucleation of a metastable polymorph on a stable polymorph, which can be further used to gain an insight in the nucleation of various different structures.

Science & research, Research, Molecular dynamics, Nucleation, Nucleation (Chemistry), Polymorphism (Crystallography)

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Adhesion between graphite and modified polyester surfaces: A theoretical study

Article Abstract:

The study examined the adhesion of graphite to functionalized polyester surfaces using a range of qualitative and quantitative measures of theoretical adhesion. The theoretical results suggested one mechanism to reduce adhesion to carbonaceous solids, which is to increase atomic roughness using strongly hydrophilic or alternatively strongly hydrophobic substituents.

Plastics Material and Resin Manufacturing, Alkyd & Polyester Resins, Surface chemistry, Graphite, Polyesters, Chemical properties

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