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

Change History (1)

comment:1 Changed 6 years ago by butler

  • Description modified (diff)
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