Modelling of a single polymer chain in the solution. Modification of the SAW method. Alan Rudzki and Waldemar Nowicki Logo SURUZ

Schematic representation of a (112) movement

What is the Flory`s exponent ν ??? ν- is the universal scaling exponent ν = 0,6 – athermal solution ν = 0,5 – ideal (RW) or θ solution ν = 0,33 – globular structure

Ideal solution Molecule interactions are neglect There is no excluded volume effect

Ideal solution (112) RW N max =1001

Θ solution solution, which is in Flory`s temperature the interactions: polymer-polymer = polymer-solvent

Θ solution (112) SAW N max =1001

Athermal solution the interactions: polymer-polymer < polymer-solvent

Athermal solution (112) SRSAW2 and (112) SRSAW3 N max =1001 (112)SRSAW2 (112)SRSAW3

Blocking method

Results N=1001N=101

Static monte carlo metod development Modelling of wide spectrum of solution properties Modelling of solvation effect ADVANCES OF MODIFIED SAW METHOD:

Thank you for attention