TY  - JOUR
AU  - Goerigk, Guenter Johannes
AU  - Klaus, Huber
AU  - Lages, Sebastian
TI  - Systematic Limitations in Concentration Analysis via Anomalous Small-Angle X-ray Scattering in the Small Structure Limit
JO  - Polymers
VL  - 8
IS  - 85
SN  - 2073-4360
CY  - Basel
PB  - MDPI
M1  - PUBDB-2016-04656
SP  - 1 - 15
PY  - 2016
AB  - Anomalous small angle scattering measurements have been applied to diluted solutions ofanionic polyacrylates decorated by specifically-interacting Pb<sup>2+</sup> cations, revealing partial collapseof the polyacrylate into pearl-like subdomains with a size on the order of a few nanometers. Fromthe pure-resonant scattering contribution of the Pb<sup>2+</sup> cations, and from subsequent analysis ofthe resonant-invariant, the amount of Pb<sup>2+</sup> cations condensed onto the polyanions with respect tothe total amount of Pb<sup>2+</sup> cations in the solvent was estimated. In order to scrutinize systematiclimitations in the determination of the chemical concentrations of resonant scattering counterionsin the collapsed phase, Monte Carlo simulations have been performed. The simulations are basedon structural confinements at variable size in the range of few nanometers, which represent thecollapsed subdomains in the polyanions. These confinements were gradually filled to a high degreeof the volume fraction with resonant scattering counterions giving access to a resonant-invariant ata variable degree of filling. The simulations revealed in the limit of small structures a significantunderestimation of the true degree of filling of the collapsed subdomains when determining chemicalconcentrations of Pb<sup>2+</sup> cations from the resonant invariant.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000373711700033
DO  - DOI:10.3390/polym8030085
UR  - https://bib-pubdb1.desy.de/record/311344
ER  -