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@ARTICLE{Jung:903148,
      author       = {Jung, David and Harting, Jens and Sega, Marcello},
      title        = {{M}onolayer {S}tructures of {S}upramolecular {A}ntagonistic
                      {S}alt {A}ggregates},
      journal      = {The journal of physical chemistry / B},
      volume       = {125},
      number       = {9},
      issn         = {1089-5647},
      address      = {Washington, DC},
      publisher    = {Soc.},
      reportid     = {FZJ-2021-04872},
      pages        = {2351 - 2359},
      year         = {2021},
      abstract     = {The speculated presence of monomolecular lamellae of
                      antagonisticsalts in oil−water mixtures has left several
                      open questions besides theirhypothetical existence,
                      including their microscopic structure and
                      stabilizationmechanism. Here, we simulate the spontaneous
                      formation of supramolecularaggregates of the antagonistic
                      salt sodium tetraphenylborate (NaBPh4) in waterand
                      3-methylpyridine (3-MP) at the atomistic level. We show
                      that, indeed, thelamellae are formed by a monomolecular
                      layer of the anion, enveloped by 3-MPand hydrated sodium
                      counterions. To understand which thermodynamic forcesdrive
                      the aggregation, we compare the full-atomistic model with a
                      simplified onefor the salt and show that the strong
                      hydrophobic effect granted by the largeexcluded volume of
                      the anion, together with electrostatic repulsion, suffice to
                      explain the stability of the monomolecular lamellae.},
      cin          = {IEK-11},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IEK-11-20140314},
      pnm          = {1215 - Simulations, Theory, Optics, and Analytics (STOA)
                      (POF4-121) / DFG project 416229255 - SFB 1411:
                      Produktgestaltung disperser Systeme},
      pid          = {G:(DE-HGF)POF4-1215 / G:(GEPRIS)416229255},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {33634691},
      UT           = {WOS:000629167300018},
      doi          = {10.1021/acs.jpcb.0c10005},
      url          = {https://juser.fz-juelich.de/record/903148},
}