Opened 6 years ago
Last modified 6 years ago
#1155 closed defect
BE Polyelectrolyte errors — at Version 1
Reported by: | butler | Owned by: | |
---|---|---|---|
Priority: | blocker | Milestone: | SasView 4.2.0 |
Component: | SasView | Keywords: | |
Cc: | Work Package: | SasView Bug Fixing |
Description (last modified by butler)
Sylvain Prevost sent the following in November 2017 (subsequently lost and refound) regarding problems with this model. He believes there are two problems:
- In the python code: concentration is rescaled from mol/dm3 to 1/Å3 only for monomer concentration, not for salt concentration. Further, polymer concentration is probably a misnomer for monomeric units concentration
- In the docs:
- The definition of r02 is wrong, { b/√(48 π Lb) } should be in the numerator, not the denominator: r02 = b / [ α √(Ca 48 π Lb) ]
- in the main equation, it should read r04, not r02
- in the docs, the conversion of concentration from mol/dm3 to 1/Å3 should be explicitly indicated before any equation
- for consistency, in the main equation, it should read (q2 - 12 h/NA Ca / b2) where NA is Avogadro's constant (as h is supposedly in Å3/mol, and assuming Ca has been converted to 1/Å3
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