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Molecular dynamics simulation solvent viscosity effect

The vacuum potential results, corresponding to the limit of zero viscosity, are shown in Fig. 41a. At zero viscosity, the dihedral angle 41 oscillates with a period of approximately 0.63 ps. When the conditions are changed to represent water at 300 K (i.e., the solvent-modified potential-of-mean-force surface is used and r) = 1.0 cP), the dominant effect is that the dihedral motion has a periodicity of about 3.7 ps (see Fig. 41b). The solvent influence observed in these simulations is consistent with an earlier molecular dynamics study of... [Pg.143]


See other pages where Molecular dynamics simulation solvent viscosity effect is mentioned: [Pg.843]    [Pg.347]    [Pg.143]    [Pg.383]    [Pg.843]    [Pg.205]    [Pg.32]    [Pg.52]    [Pg.95]    [Pg.95]    [Pg.153]    [Pg.15]    [Pg.262]    [Pg.146]    [Pg.369]    [Pg.355]    [Pg.369]   
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Dynamical effects

Dynamical simulations

Dynamics effect

Molecular Dynamics Simulation

Molecular dynamics simulation solvent effects

Molecular simulations

Molecular viscosity

Solvent dynamical effect

Solvent dynamics

Solvent effect viscosity

Solvent effects, simulation

Solvent molecular

Solvent simulation

Solvent viscosity

Viscosity dynamic

Viscosity effect

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