Login / Signup

Small-Angle Neutron Scattering Insights into 2-Ethylhexyl Laurate: A Remarkable Bioester.

Oliver S HammondDaniel C MorrisGuillaume BousrezSichao LiLiliana de CampoCarl RecseiMichael MoirSergei GlavatskihMark W RutlandAnja-Verena Mudring
Published in: ACS sustainable chemistry & engineering (2024)
Commercial (protiated) samples of the "green" and biodegradable bioester 2-ethylhexyl laurate (2-EHL) were mixed with D-2-EHL synthesized by hydrothermal deuteration, with the mixtures demonstrating bulk structuring in small-angle neutron scattering measurements. Analysis in a polymer scattering framework yielded a radius of gyration ( R g ) of 6.5 Å and a Kuhn length (alternatively described as the persistence length or average segment length) of 11.2 Å. Samples of 2-EHL dispersed in acetonitrile formed self-assembled structures exceeding the molecular dimensions of the 2-EHL, with a mean aggregation number ( N agg ) of 3.5 ± 0.2 molecules across the tested concentrations. We therefore present structural evidence that this ester can function as a nonionic (co)surfactant. The available surfactant-like conformations appear to enable performance beyond the low calculated hydrophilic-lipophilic balance value of 2.9. Overall, our data offer an explanation for 2-EHL's interfacial adsorption properties via self-assembly, resulting in strong emolliency and lubricity for this sustainable ester-based bio-oil.
Keyphrases
  • high resolution
  • ionic liquid
  • drug delivery
  • big data
  • molecular dynamics simulations
  • machine learning
  • fatty acid
  • sewage sludge
  • heavy metals
  • simultaneous determination
  • municipal solid waste