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Titration of fatty ...
Titration of fatty acids solubilized in catonic, nonionic and anionic micelles: Theory and experiment.
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da Silva, Fernando L B (author)
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Bogren, Dan (author)
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- Söderman, Olle (author)
- Lund University,Lunds universitet,Fysikalisk kemi,Enheten för fysikalisk och teoretisk kemi,Kemiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Physical Chemistry,Physical and theoretical chemistry,Department of Chemistry,Departments at LTH,Faculty of Engineering, LTH
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- Jönsson, Bo (author)
- Lund University,Lunds universitet,Beräkningskemi,Enheten för fysikalisk och teoretisk kemi,Kemiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Computational Chemistry,Physical and theoretical chemistry,Department of Chemistry,Departments at LTH,Faculty of Engineering, LTH
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(creator_code:org_t)
- 2002-03-09
- 2002
- English.
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In: The Journal of Physical Chemistry Part B. - : American Chemical Society (ACS). - 1520-5207 .- 1520-6106. ; 106:13, s. 3515-3522
- Related links:
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http://dx.doi.org/10...
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https://lup.lub.lu.s...
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https://doi.org/10.1...
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Abstract
Subject headings
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- The titration properties of a fatty acid solubilized in different types of micelles, cationic, anionic and nonionic, have been investigated experimentally and theoretically. The solution containing micelles, counterions, and added salt was treated as a dielectric continuum in the Monte Carlo simulations. The dielectric permittivity of the interior of the micelle can have a profound effect on the calculated pK shifts depending on how the dielectric discontinuity is chosen in the model. The simulated results are compared to data from Poisson-Boltzmann calculations and from experiments. The experimentally observed apparent pKa value changes from 7.6 to 4.9 when solubilizing lauric acid in anionic (SDS) and cationic (DoTAC) micelles, respectively. For the nonionic micelle it is found to be approximately 6.6. A significant ion specificity in the pKa value is observed for the DoTAC and DoTAB systems and surprisingly enough both systems show an upward pK shift.
Subject headings
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
Publication and Content Type
- art (subject category)
- ref (subject category)
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