Volume 6 Supplement 1
Molecular fragment dynamics study on the water-air interface behavior of non-ionic polyoxyethylene alkyl ether surfactants
© Truszkowski et al; licensee Chemistry Central Ltd. 2014
Published: 11 March 2014
Molecular Fragment Dynamics (MFD) is a mesoscopic simulation technique based on Dissipative Particle Dynamics (DPD). Whereas DPD beads in general may not necessarily be identified with chemical compounds at all the MFD variant uses specific molecules or molecular fragments as its basic coarse-grained interacting entities (rather than the fine-grained atom types of Molecular Mechanics). MFD can be used to study formulations of drugs and active agents in oil, water and emulsions.
- Truszkowski A, Epple M, Fiethen A, Zielesny A, Hubert K: Molecular fragment dynamics study on the water-air interface behavior of non-ionic polyoxyethylene alkyl ether surfactants. Journal of Colloid and Interface Science. accepted
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