2006
DOI: 10.1063/1.2188398
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Adding salt to an aqueous solution of t-butanol: Is hydrophobic association enhanced or reduced?

Abstract: Recent neutron scattering experiments on aqueous salt solutions of amphiphilic t-butanol by Bowron and Finney ͓Phys. Rev. Lett. 89, 215508 ͑2002͒; J. Chem. Phys. 118, 8357 ͑2003͔͒ suggest the formation of t-butanol pairs, bridged by a chloride ion via O -H¯Cl − hydrogen bonds, leading to a reduced number of intermolecular hydrophobic butanol-butanol contacts. Here we present a joint experimental/theoretical study on the same system, using a combination of molecular dynamics ͑MD͒ simulations and nuclear magneti… Show more

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Cited by 19 publications
(18 citation statements)
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“…3 indicate that the relation between the association parameter and the mole ratio of salt to TBA is not linear, as described previously. 23 For NaCl, we observe a strong increase in the association parameter, indicating that NaCl enhances the selfassociation of TBA at all concentrations. For NaBr, the effect appears to be a small decrease of the association.…”
Section: Diffusion Measurementsmentioning
confidence: 81%
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“…3 indicate that the relation between the association parameter and the mole ratio of salt to TBA is not linear, as described previously. 23 For NaCl, we observe a strong increase in the association parameter, indicating that NaCl enhances the selfassociation of TBA at all concentrations. For NaBr, the effect appears to be a small decrease of the association.…”
Section: Diffusion Measurementsmentioning
confidence: 81%
“…Previous studies have highlighted the role of Cl − as a determinant of the association behavior, 21 even though this role is still problematic. [21][22][23] It has been found that an attractive interaction exists between the Br − and Xe in aqueous solution, 33 Xe being a small hydrophobic molecule. This result shows that Br − does not promote the Xe-Xe hydrophobic interaction and might explain the smaller effect of Br − on the self-association.…”
Section: Resultsmentioning
confidence: 99%
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“…The same value is observed for the case of random bond percolation on a 3D lattice close to the percolation transition, and supports the view of methanol and water as a bipercolating mixture, as proposed by Dougan et al [53] The observation of percolation is a feature apparently not untypical for aqueous solutions and was first observed for the water network in THF/water mixtures by Oleinikova et al, [58] and was also found later for the hydrophobic clustering of tertiary butanol (TBA) in TBA/water mixtures. [59] Quite interestingly, the broad cluster-size distribution also has implications for the structure of the solvent at the peptide/solvent interface. As the picture of the solvation shell of the AK peptide in Figure 3 suggests, the nanoheterogeneous nature is also reflected on the peptide surface and reveals a patchy structure of methanol and water clusters.…”
Section: Discussionmentioning
confidence: 98%