open access publication

Article, 2024

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

ACS Sustainable Chemistry & Engineering, ISSN 2168-0485, Volume 12, 5, Pages 1816-1821, 10.1021/acssuschemeng.3c04736

Contributors

Hammond, Oliver S 0000-0002-5612-9343 [1] [2] Morris, Daniel C 0000-0002-8078-7848 [3] Bousrez, Guillaume 0000-0002-0265-7431 [1] [2] Li, Sichao 0000-0001-7195-1792 [4] De Campo, Liliana 0000-0003-4799-2935 [5] Recsei, Carl 0000-0001-8169-5921 [5] Moir, Michael 0000-0003-1684-3160 [5] Glavatskih, Sergei B 0000-0002-8738-0047 [3] [4] [6] Rutland, Mark William 0000-0002-8935-8070 (Corresponding author) [3] [4] [7] Mudring, Anja-Verena 0000-0002-2800-1684 (Corresponding author) [1] [2]

Affiliations

  1. [1] Aarhus University
    2. [NORA names: AU Aarhus University; University; Denmark; Europe, EU; Nordic; OECD];
  2. [2] Stockholm University
    3. [NORA names: Sweden; Europe, EU; Nordic; OECD];
  3. [3] UNSW Sydney
    4. [NORA names: Australia; Oceania; OECD];
  4. [4] KTH Royal Institute of Technology
    5. [NORA names: Sweden; Europe, EU; Nordic; OECD];
  5. [5] Australian Nuclear Science and Technology Organisation
    6. [NORA names: Australia; Oceania; OECD];

Abstract

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 (Rg) 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 (Nagg) 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.

Keywords

Kuhn, Kuhn length, acetonitrile, adsorption properties, analysis, balance values, bio-oil, concentration, conformation, data, deuteration, dimensions, emollients, ester, evidence, explanation, framework, hydrophilic-lipophilic balance values, insights, interfacial adsorption properties, laurate, length, lubrication, measurements, mixtures, molecular dimensions, molecules, neutron scattering measurements, performance, polymer, properties, radius, samples, scattered insights, scattering framework, scattering measurements, self-assembled structures, self-assembly, small angles, small-angle neutron scattering measurements, structural evidence, structure, tested concentrations, values

Funders

  • Australian Nuclear Science and Technology Organisation
  • Swedish Research Council
  • Australian Institute of Nuclear Science and Engineering
  • Swedish Foundation for Strategic Research
  • The Velux Foundations

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