RDFs

Medium range interactions evidences in compounds with aliphatic lateral chain: 1-pentanoic acid, 1-pentanol and pentylammonium nitrate as test cases

In this study we have explored by means of polarizable molecular dynamics simulations and small-angle X-ray diffraction, a subset of liquids belonging to the following three different classes of compounds: pentyl ammonium nitrate, 1-pentanol and 1-pentanoic acid. The presence of a low-Q peak in the X-ray spectra of the liquids provides evidence that a long alkyl chain is connected to the polar moiety and it is sufficient to establish nanodomain segregation in the liquid.

© Università degli Studi di Roma "La Sapienza" - Piazzale Aldo Moro 5, 00185 Roma