Knowledge of solution density as a function of levels of cyclodextrin (CDs), salt, and temperature is crucial in the production of cyclodextrins, evaluation of guest-host interactions, and many applications of CDs especially in aquifer remediation and advanced oil recovery where density affects hydraulics. Relatively high precision measurements (±1 μg ml<sup>-1</sup>) of solution density at 1 atm were collected from 5 to 60°C for aqueous solutions of 2-hydroxypropyl-β-cyclodextrin and sodium chloride. A progressive model (0.0021, 95% CI) based on observed trends in data was developed by observations of 2nd order relationships for temperature and salinity in molal and linear CD concentration. In a less biased manner, a novel approach to developing density equations involved creation of a series of ordinary least squares (OLS) linear models based on a stepwise adoption of additional “best” terms from a pool of 3,872 variants of terms commonly found in density and other rheological equations based on minimization of the Akaike Information Criterion. After the addition of 18 terms no improvement was gained for a molal-based concentration model (and 17 for a mass fraction-based model) and a 95% prediction interval of 7 x 10<sup>-5</sup> g/ml was achieved for both models. For potential end-users, the provided pool of 35 OLS models enables choice of complexity versus performance for their application. More broadly, the methods used herein can be adopted for development of accurate equations for other rheological systems.

Model for solution density as molal and mass fraction as functions of salinity, and cyclodextrin and temperature, via stepwise regression

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.