CHEN Yantao, DING Jiandong. DYNAMIC MONTE CARLO SIMULATION OF KINETIC PROCESS FOR POLYMER COLLAPSE TRANSITION[J]. Acta Polymerica Sinica, 2009,(12):1238-1244.
CHEN Yantao, DING Jiandong. DYNAMIC MONTE CARLO SIMULATION OF KINETIC PROCESS FOR POLYMER COLLAPSE TRANSITION[J]. Acta Polymerica Sinica, 2009,(12):1238-1244. DOI: 10.3724/SP.J.1105.2009.01238.
Based on the bond-fluctuation lattice model and dynamic Monte Carlo simulation
with explicitly including the hydrophobic interaction between water molecular and polymer
the kinetic process for the coil-globule transition of a homopolymer chain was studied.The distribution of collapse time observed the Gaussian profile
and the variation of averaged collapse time on the quench depth was similar with that for protein folding
but exhibited no local minima.What’s more
the averaged collapse time was exponentially dependent on the chainlength.In the kinetic process
the polymer chain’s conformation was found to evolve from an ellipsoid-like random coil to necklace-like conformation
then to sausage-like conformation
and eventually to a spherical globule.The four-stage kinetic process previously proposed by other peoples has been distinctly defined in this paper via some characteristic parameters
i.e.
the number of cluster
cluster size and aspherity
thus providing a convenient criterion for stage partition and comparison for specific collapse process.