Thermodynamics stability of zimmerman self-assembled dendritic supermolecules from atomistic molecular dynamics simulations

Article Abstract:

A study was conducted, using the vibrational density of state (DoS) derived from classical molecular dynamic (MD) simulations, to investigate the origin of the generation-dependent stability of the hydrogen-bond-mediated self-assembly of supermolecular dendritic structures. The result confirms that circular and linear configurations may coexist at lower generations but that only circular forms are stable at higher generations.

Molecular structure

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Nanophase segregation and water dynamics in the dendrion diblock copolymer formed from the Frechet polyaryl ethereal dendrimer and linear PTFE

Article Abstract:

The structure and dynamics of the dendrion formed by second-generation Frenchet polyaryl ethereal dendrimer as the hydrophilic component and linear PTFE is presented. The water molecules are incorporated into the dendimer block of the copolymer to form a nanophase-segregated structure.

Science & research, Research, Polymers, Dendrimers

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Nanophase-segregation and transport in Nafion 117 from molecular dynamics simulations: effect of monomeric sequence

Article Abstract:

The monomeric sequence of the Nafion chain that influences the nanophase-segregation composition and transport in hydrated Nafion is defined. The molecular dynamics simulations of Nafion 117 using two remote monomeric sequences are studied.

Sodium channels

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