# polymer_excl_volume

Polymer Excluded Volume model

Parameter |
Description |
Units |
Default value |
---|---|---|---|

scale |
Scale factor or Volume fraction |
None |
1 |

background |
Source background |
cm |
0.001 |

rg |
Radius of Gyration |
Å |
60 |

porod_exp |
Porod exponent |
None |
3 |

The returned value is scaled to units of cm^{-1} sr^{-1}, absolute scale.

This model describes the scattering from polymer chains subject to excluded volume effects and has been used as a template for describing mass fractals.

**Definition**

The form factor was originally presented in the following integral form (Benoit, 1957)

where \(\nu\) is the excluded volume parameter (which is related to the Porod exponent \(m\) as \(\nu=1/m\) ), \(a\) is the statistical segment length of the polymer chain, and \(n\) is the degree of polymerization.

This integral was put into an almost analytical form as follows (Hammouda, 1993)

and later recast as (for example, Hore, 2013; Hammouda & Kim, 2017)

where \(\gamma(x,U)\) is the incomplete gamma function

and the variable \(U\) is given in terms of the scattering vector \(Q\) as

The two analytic forms are equivalent. In the 1993 paper

has been factored out.

**SasView implements the 1993 expression**.

The square of the radius-of-gyration is defined as

Note

This model applies only in the mass fractal range (ie, \(5/3<=m<=3\))
and **does not apply** to surface fractals (\(3<m<=4\)).
It also does not reproduce the rigid rod limit (m=1) because it assumes
chain flexibility from the outset. It may cover a portion of the
semi-flexible chain range (\(1<m<5/3\)).

A low-Q expansion yields the Guinier form and a high-Q expansion yields the Porod form which is given by

Here \(\Gamma(x) = \gamma(x,\infty)\) is the gamma function.

The asymptotic limit is dominated by the first term

The special case when \(\nu=0.5\) (or \(m=1/\nu=2\) ) corresponds to Gaussian chains for which the form factor is given by the familiar Debye function.

For 2D data: The 2D scattering intensity is calculated in the same way as 1D, where the \(q\) vector is defined as

**Source**

**References**

H Benoit,

*Comptes Rendus*, 245 (1957) 2244-2247B Hammouda,

*SANS from Homogeneous Polymer Mixtures - A Unified Overview*,*Advances in Polym. Sci.*106 (1993) 87-133M Hore et al,

*Co-Nonsolvency of Poly(N-isopropylacrylamide) in Deuterated Water/Ethanol Mixtures*,*Macromolecules*46 (2013) 7894-7901B Hammouda & M-H Kim,

*The empirical core-chain model*,*Journal of Molecular Liquids*247 (2017) 434-440

**Authorship and Verification**

**Author:****Last Modified by:****Last Reviewed by:**