ispossiblethatdiammoniummolecules maybeabletoactto
“pin”clay layers together preventing further swelling, though it
still remains unclear as to the extent that this occurs, or whether
other factors contribute.
In order to fully understand clay-swelling inhibition, and then
rationally design swelling inhibitors, a more holistic view, addressing
a range of time and length scales must be taken. At the atomistic level
and below, simulation methods allow for a detailed insight into the
structure, energetics and swelling behaviour of these complex
systems, which circumvents problems with experimental character-ization, i.e., heterogeneity and little insight into the clay interlayer.
Increasingly powerful simulation techniques can predict specific
interactions of candidate inhibitors with clays to assess their potential
performance prior to their synthesis.