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Modelling of a single polymer chain in the solution. Modification of the SAW method.

Logo SURUZ. Modelling of a single polymer chain in the solution. Modification of the SAW method. Alan Rudzki and Waldemar Nowicki. Schematic representation of a (112) movement. What is the Flory`s exponent ν ???. ν - is the universal scaling exponent ν = 0,6 – athermal solution

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Modelling of a single polymer chain in the solution. Modification of the SAW method.

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

  2. Schematic representation of a (112) movement

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

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

  5. Ideal solution(112) RW Nmax=1001

  6. Θsolution • solution, which is in Flory`s temperature • the interactions: polymer-polymer = polymer-solvent

  7. Θ solution(112) SAW Nmax=1001

  8. Athermal solution • the interactions: polymer-polymer < polymer-solvent

  9. Athermal solution(112) SRSAW2 and (112) SRSAW3 Nmax=1001 (112)SRSAW3 (112)SRSAW2

  10. Blocking method

  11. Results N=1001 N=101

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

  13. Thank you for attention

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