Concentration-dependent polyparameter linear free energy relationships to predict organic compound sorption on carbon nanotubes.

ABSTRACT: Adsorption of organic compounds on carbon nanotubes (CNTs), governed by interactions between molecules and CNTs surfaces, is critical for their fate, transport, bioavailability and toxicity in the environment. Here, we report a promising concentration-dependent polyparameter linear free energy relationships (pp-LFERs) model to describe the compound-CNTs interactions and to predict sorption behavior of chemicals on CNTs in a wide range of concentrations (over five orders of magnitude). The developed pp-LFERs are able to capture the dependence of the k(i) on equilibrium concentration. The pp-LFERs indexes [r, p, a, b, v] representing different interactions are found to have a good relationship with the aqueous equilibrium concentrations of compounds. This modified model can successfully inte

SUBMITTER: Zhao Q 

PROVIDER: S-EPMC3902440 | biostudies-literature | 2014 Jan

REPOSITORIES: biostudies-literature