Transport properties of alkyltrimethylammonium bromide surfactants in aqueous solutions

Ribeiro, Ana C.F.; Lobo, Victor M.M.; Valente, Artur J.M.; Azevedo, Eduarda F. G.; Miguel, Maria G.; Burrows, Hugh D.

doi:10.1007/s00396-004-1136-x

Cited by 60 publications

(52 citation statements)

References 24 publications

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“…The fraction of bound counterions for the simulated system, calculated from the number of Br ions within the first peak of the N-Br RDF, was 0.61. This is close to, but somewhat lower than, several experimental estimates [37][38][39][40][41][42].…”

Section: Figuresupporting

confidence: 65%

Structure of cationic surfactant micelles from molecular simulations of self-assembly

Jorge

2010

Journal of Molecular Structure: THEOCHEM

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Molecular dynamics simulations of self-assembly of n-decyltrimethylammonium bromide surfactants were performed using an atomistic model, and a detailed analysis of the spontaneously formed micellar aggregates was carried out. This allowed for a detailed study of the structure of cationic surfactant micelles free from any a priori assumptions regarding their size and shape. Atomic radial distribution functions, radial density profiles and bivariate water orientation distributions were computed. Together, they show the presence of a dry micelle core, with a hydrophobic environment similar to a liquid alkane, a well-defined head-group layer at the interface, and an outer layer of strongly bound bromide counterions. Water molecules penetrate the micelle as far as the innermost head site, adopting a sequence of orientations that is akin to that observed at planar interfaces with vapor or immiscible organic solvents. Water molecules at ACCEPTED MANUSCRIPT 2 the exterior of the micelle are highly polarized by the electrical double-layer formed by cationic head-groups and bromide anions, orienting themselves with their dipole vector pointing towards the micelle core.

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Section: Figuresupporting

confidence: 65%

Structure of cationic surfactant micelles from molecular simulations of self-assembly

Jorge

2010

Journal of Molecular Structure: THEOCHEM

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“…(26) is based on the assumption that cmc is the concentration where addition of one surfactant has 50 % probability of ending up in a micelle ((dS mic /dS T )=(dS/dS T )=0.5)). For C 12 TAB with a cmc value of 15.34 mM and an aggregation number of 55 [140], we obtain log(K mic )=95 and, consequently, the concentrations of various species present can be computed and are presented in Figure 4.…”

Section: Accepted M Manuscriptmentioning

confidence: 99%

“…In the case of ionic surfactant-based solutions, electrical conductivity has been successfully used for determination of critical micelle concentration and degree of counter ion dissociation of micelles [138][139][140], or in the case of multicomponent systems, such as polymer-surfactant or multivalent salt-surfactant, polymer saturation points [141] and critical aggregation concentrations (see, e.g., [142]). That is, even in systems where the interpretation becomes rather complicated as a consequence of multiple contributions for the overall ionic conductance, electrical conductivity measurements may discriminate between structural or configurational changes as a consequence of counterions release (or charge neutralization followed by structural re-arrangements) or by significant changes in the size of ionic species.…”

Section: Accepted M Manuscriptmentioning

confidence: 99%

The formation of host–guest complexes between surfactants and cyclodextrins

Valente

Söderman

2014

Advances in Colloid and Interface Science

172

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Cyclodextrins are able to act as host molecules in supramolecular chemistry with applications ranging from pharmaceutics to detergency. Among guest molecules surfactants play an important role with both fundamental and practical applications. The formation of cyclodextrin/surfactant host-guest compounds leads to an increase in the critical micelle concentration and in the solubility of surfactants. The possibility of changing the balance between several intermolecular forces, and thus allowing the study of, e.g., dehydration and steric hindrance effects upon association, makes surfactants ideal guest molecules for fundamental studies. Therefore, these systems allow for obtaining a deep insight into the host-guest association mechanism. In this paper, we review the influence on the thermodynamic properties of CD-surfactant association by highlighting the effect of different surfactant architectures (single tail, double-tailed, gemini and bolaform), with special emphasis on cationic surfactants. This is complemented with an assessment of the most common analytical techniques used to follow the association process. The applied methods for computation of the association stoichiometry and stability constants are also reviewed and discussed; this is an important point since there are significant discrepancies and scattered data for similar systems in the literature.In general, the surfactant-cyclodextrin association is treated without reference to the kinetics of the process. However, there are several examples where the kinetics of the process can be investigated, in particular those where volumes of the CD cavity and surfactant (either the tail or in special cases the head group) are similar in magnitude.This will also be critically reviewed.

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“…The fraction of counter-ions bound to the micelle was determined conductometrically by the slope ratio method, a well proclaimed method used in the past by us and others [25][26][27][28][29][30][31]. In this method, the ratio of the pre and the post micellar slopes, S 1 and S 2 , respectively of the specific conductance versus concentration plots are considered.…”

Section: Counter-ion Bindingmentioning

confidence: 99%

Physicochemical Studies on the Interfacial and Bulk Behaviors of Sodium N‐Dodecanoyl Sarcosinate (SDDS)

Ray

Ghosh

Moulik

2008

J Surfact & Detergents

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Sodium N-dodecanoyl sarcosinate (SDDS), a novel amino-acid based surfactant, has immense biological and industrial importance. Although it is being used in a number of cosmetic formulations, systematic analysis of the bulk and interfacial properties of the surfactant is scarce in the literature. In this study, effects of salt, temperature, and pH on the self-association and related properties of SDDS have been examined in detail using methods such as tensiometry, conductometry, fluorimetry, pH-metry, spectrophotometry, calorimetry, and circular dichroism. The nature of amphiphilic packing and the aggregation numbers of the assemblies have been deciphered. Properties of the acid form of the surfactant have also been explored. The results have been conceptually rationalized and systematically presented together with associated energetics of the interfacial adsorption and self-aggregation of the surfactant in the bulk.

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Transport properties of alkyltrimethylammonium bromide surfactants in aqueous solutions

Cited by 60 publications

References 24 publications

Structure of cationic surfactant micelles from molecular simulations of self-assembly

Structure of cationic surfactant micelles from molecular simulations of self-assembly

The formation of host–guest complexes between surfactants and cyclodextrins

Physicochemical Studies on the Interfacial and Bulk Behaviors of Sodium N‐Dodecanoyl Sarcosinate (SDDS)

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