Thermodynamic selectivity of functional agents on zeolite for sodium dodecyl sulfate sequestration

Ling Leng, Jian Wang, Xianxiu Qiu, Yanxiang Zhao, Yuk Wang Yip, Ga Lai Law, Kaimin Shih, Zhengyuan Zhou, Po Heng Lee

Research output: Journal article publicationJournal articleAcademic researchpeer-review

2 Citations (Scopus)


This study proposes a thermodynamic approach to effectively select functional agents onto zeolite for sodium dodecyl sulfate (SDS) sequestration in greywater reuse. We combine isothermal titration calorimetry (ITC) and quantum chemistry simulation (QCS) to identify the interactions between SDS and agents at the molecular level. Three potential agents, cetyl trimethyl ammonium bromide (CTAB), N,N,N-trimethyltetradecan-1-aminium bromide (C14TAB), and 14-hydroxy-N,N,N-trimethyltetradecan-1-aminium bromide (C14HTAB), differ in carbon chain length and hydrophilic groups. The ITC titration of SDS with CTAB released the highest heat, followed by those with C14TAB and C14HTAB, as was the same trend for the amounts of SDS adsorbed by the respective functionalized-zeolites. Results suggest that the favorable SDS sorption occurred at the bilayer CTAB-zeolite is driven by enthalpy as similar as the SDS…CTAB interaction found, regardless of the contribution from electrostatic and/or hydrophobic behaviors, while the declined sorption is entropy-driven via the predominant hydrophobic interaction onto the monolayer CTAB-zeolite. The data presented here interpret the nature of molecularly thermodynamic quantities and enable the manipulation of sorption capacity optimization.
Original languageEnglish
Pages (from-to)41-47
Number of pages7
JournalJournal of Hazardous Materials
Publication statusPublished - 15 Nov 2016


  • Isothermal titration calorimetry (ITC)
  • Quantum chemistry simulation (QCS)
  • Sorption
  • Surfactant
  • Thermodynamics

ASJC Scopus subject areas

  • Environmental Engineering
  • Environmental Chemistry
  • Waste Management and Disposal
  • Pollution
  • Health, Toxicology and Mutagenesis

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