## FANDOM

32.681 Seiten

 Typus KomplettPlagiat Bearbeiter Klgn Gesichtet
Untersuchte Arbeit:
Seite: 66, Zeilen: 1 ff. (entire page)
Quelle: Anézo 2003
Seite(n): 150, Zeilen: 12 ff.
This approximation enables one to extract the local time dependent friction coefficient ζ(z,t) from the constrained MD trajectory:

$\zeta (z,t)=\frac{\left \langle \Delta F_z(z,t) \Delta F_z(z,0) \right \rangle}{R_c T}$ (2.24)

Time integration of this equation gives the local static friction coefficient ζS(z). Assuming that, during the decay time of the local time dependent friction coefficient ζ(z,t), the solute remains in a region of constant free energy (i.e. in the limit of overdamped Markovian diffusion), the local diffusion coefficient D(z) of the solute in the membrane can be related to ζS(z) via Einstein’s relation:

$D(z)=\frac{R_c T}{\zeta ^{s}(z)}=\frac{(R_c T)^{2}}{\int_{0}^{\infty} \left \langle \Delta F_z (z,t) \Delta F_z (z,0) \right \rangle dt }$ (2.25)

This approximation enables one to extract the local time-dependent friction coefficient ξ(z,t) from the constrained MD trajectory:

$\zeta (z,t)=\frac{\left \langle \Delta F_z(z,t) \cdot \Delta F_z(z,0) \right \rangle}{R_c T}$ (5.10)

Time integration of this equation gives the local static friction coefficient ξs(z). Assuming that, during the decay time of the local time-dependent friction coefficient ξ(z,t), the solute remains in a region of constant free energy (i.e. in the limit of overdamped Markovian diffusion), the local diffusion coefficient D(z) of the solute in the membrane can be related to ξs(z) via Einstein’s relation:

$D(z)=\frac{R_c T}{\zeta ^{s}(z)}=\frac{(R_c T)^{2}}{\int_{0}^{\infty} \left \langle \Delta F_z (z,t) \cdot \Delta F_z (z,0) \right \rangle \mathrm{d}t }$ (5.11)

 Anmerkungen A source is not given. Sichter (Klgn), WiseWoman