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WormLikeChainPolymer

oxiphysics_materials::polymers_materials

Struct WormLikeChainPolymer 

Source 
pub struct WormLikeChainPolymer {
    pub persistence_length: f64,
    pub contour_length: f64,
    pub temperature: f64,
}
Expand description

Worm-Like Chain polymer model for semi-flexible polymers.

Uses the Marko-Siggia interpolation formula for force-extension.

Fields§

§persistence_length: f64

Persistence length L_p [m]

§contour_length: f64

Contour length L_c [m]

§temperature: f64

Temperature [K]

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impl WormLikeChainPolymer

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pub fn new( persistence_length: f64, contour_length: f64, temperature: f64, ) -> Self

Create a new Worm-Like Chain model.

§Arguments
  • persistence_length - Persistence length L_p [m]
  • contour_length - Contour length L_c [m]
  • temperature - Temperature [K]
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pub fn force_extension(&self, extension: f64) -> f64

Force-extension using Marko-Siggia interpolation: F = (kT/L_p) * [1/(4*(1-x)²) - 1/4 + x] where x = R/L_c.

§Arguments
  • extension - End-to-end distance R [m], must be < contour length
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pub fn extension_at_force(&self, force: f64) -> f64

Extension at a given force (numerical inversion via bisection).

§Arguments
  • force - Applied force [N]
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pub fn mean_square_end_to_end(&self) -> f64

Mean square end-to-end distance in the WLC model: R² = 2 * L_p * L_c * [1 - (L_p/L_c)*(1 - exp(-L_c/L_p))]

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