M. Wittkop et al., THE COLLAPSE TRANSITION OF A SINGLE POLYMER-CHAIN IN 2 AND 3 DIMENSIONS - A MONTE-CARLO STUDY, The Journal of chemical physics, 104(9), 1996, pp. 3373-3385
The collapse transition of a single polymer chain in two and three dim
ensions was studied using the bond-fluctuation model. The obtained exp
onents v of the scaling law [S-N(2)]similar to N-2v agree with values
proposed in the literature as well as above, at and below the Theta-te
mperature T-Theta. Transition curves and scaling analysis plots are pr
esented. The scaling function alpha(S)(3) tau N-1/2 vs tau N-1/2 has a
pronounced maximum before leveling off in the fully collapsed regime
in accordance with the theory [alpha(S)(2)=[S-N(2)]/[S-N(2)](Theta), t
au=\(T-T-Theta)/T-Theta\]. An analyzing of the subchain distances lead
s to disagreements with the blob model. The subchains are locally swol
len for T>T-Theta and shrunken for T<T-Theta. The probability distribu
tion function of internal distances for T greater than or equal to T-T
heta can be described by scaling functions of the form f(s)(x) similar
to x(Ks) exp( - D(s)x(delta s)) for large x, x being the scaled dista
nce. In contrast for T<T-Theta none of these functions describe the da
ta. The dynamic properties above T-Theta are in agreement with the Rou
se model, but below T-Theta differences occur; the center of mass diff
usion becomes anomalous and the relaxation times rise with a power law
in N of the form tau(i)(N)similar to N-2+3/d (d being the dimension o
f space). (C) 1996 American Institute of Physics.