Straight‐chain alkylbenzenes: Structure and performance property relations

Rubinfeld, Joseph; Emery, E. M.; Cross, H. D.

doi:10.1007/bf02663965

Cited by 13 publications

(3 citation statements)

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“…The popularity of ABS stems from their cost-effectiveness, biodegradibilty, and the fact that the interfacial tension between oil and water can be lowered to extremely low values on the order of 10 –3 mN/m . The effectiveness of ABS as detergents has been correlated to the molecular weight of the surfactants as well as the position of the benzene ring along the alkyl chain. − It was found that a surfactant produces a minimum interfacial tension for a particular alkane, and there was an optimal position for the attachment of the benzene ring to the alkyl chain where the effect on the interfacial properties was greatest, depending on the alkane used.…”

Section: Introductionmentioning

confidence: 99%

Interfacial Properties and Monolayer Collapse of Alkyl Benzenesulfonate Surfactant Monolayers at the Decane–Water Interface from Molecular Dynamics Simulations

et al. 2017

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The molecular structure of a surfactant molecule is known to have a great effect on the interfacial properties and the type of nanostructures formed. In this work, we have performed molecular dynamics simulations on six isomers of an alkyl benzenesulfonate surfactant to investigate the effect of the degree and position of aromatic substitution on the interfacial properties and on the collapse of the surfactant monolayer at a decane-water interface. The surface pressure of the monolayers was shown to increase with increasing surface coverage, until some of the monolayers become mechanically unstable and form large undulations. Shifting the primary alkyl chain of the surfactant from the para to the meta position was found to significantly affect the orientation of the surfactant head groups, while the attachment position of the benzene ring along the primary alkyl chain plays a greater role in the orientation of the surfactant tails. In general, to the extent considered in this work, our results suggest that additional alkyl substitution and meta substitution of the primary alkyl chains increase both the effectiveness and efficiency of the surfactants, and accelerate the onset of monolayer collapse. The interface was found to consist of an inner Helmholtz layer of partially dehydrated counterions in contact with the surfactant head groups, an outer Helmholtz layer of hydrated counterions, and a diffuse layer. The di- and trisubstituted surfactants formed nearly spherical swollen micelles encapsulating pure decane, which effectively solubilizes decane in water as a microemulsion. The monosubstituted surfactants formed elongated buds that protrude from the interface, but did not detach from the monolayer. To our knowledge, the role of aromatic substitution on interfacial properties has not been investigated by molecular simulations previously. The results from this work could provide insights to design improved surfactants by exploiting aromatic substitution to encapsulate material for drug delivery and other applications.

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Section: Introductionmentioning

confidence: 99%

Interfacial Properties and Monolayer Collapse of Alkyl Benzenesulfonate Surfactant Monolayers at the Decane–Water Interface from Molecular Dynamics Simulations

et al. 2017

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“…There are widespread opinions in the detergent industry about the comparative performance and formulation characteristics of high versus low 2-phenyl LAS (2). Differences which were noticed were attributed to the phenyl isomer distribution and in some cases this has led to misconceptions.…”

Section: Introductionmentioning

confidence: 99%

Effect of carbon chain and phenyl isomer distribution on use properties of linear alkylbenzene sulfonate: A comparison of ‘high’ and ‘low’ 2‐phenyl LAS homologs

Matheson

Matsoim

1983

J Americ Oil Chem Soc

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Phenyl isomer distributions, within current commercial limits of HF and A1CI 3 linear alkylbenzene sulfonates (LAS), have little effect on dishwashing performance in light-duty liquids (LDL), detergency performance in heavy-duty powders (HDP), and interfacial tension value. The most important factor in determining performance differences among commercial LAS samples is carbon chain homolog distribution. Both HF and A1CI 3 LAS perform equally well and can be used interchangeably in high-performance product~ The optimum for foam stability in light-duty liquids shifts towards shorter alkyl chain length as water hardness increases. At 0 ppm water hardness the optimum occurs at C13 ; at 50-150 ppm the optimum moves to C~1 and CI2 ; and above 150 ppm the optimum shifts to include C~0, Ctx and C~2. The detergency performance optimum range in a phosphate built heavy-duty powder at 50 and 150 ppm water hardness includes the C~2 , C13 and C~4 alkyl chain lengths. In a nonphosphate built powder the optimum is similar at 50 ppm hardness to that of a phosphate built powder, but shifts at 150 ppm hardness to include CH, Cl2 and Ct~.

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“…of benzene with olefins in the presence of Friedel-Crafts catalysts. Studies on the solubility, foam stability, and surface-active properties of these products have shown that the length of their alkyl chain and the position of the phenyl group on it are important factors in determining their performance characteristics (Anstett et al, 1966;Rubinfeld et al, 1964Rubinfeld et al, , 1965. Certain constant synergistic effects have also been observed for various combinations of phenylalkanes (Sweeny and Olson, 1964).…”

mentioning

confidence: 99%

Control of Isomer Distribution of Straight-Chain Alkylbenzenes

Alul¹

1968

I&EC Product Research and Development

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Straight‐chain alkylbenzenes: Structure and performance property relations

Cited by 13 publications

References 3 publications

Interfacial Properties and Monolayer Collapse of Alkyl Benzenesulfonate Surfactant Monolayers at the Decane–Water Interface from Molecular Dynamics Simulations

Interfacial Properties and Monolayer Collapse of Alkyl Benzenesulfonate Surfactant Monolayers at the Decane–Water Interface from Molecular Dynamics Simulations

Effect of carbon chain and phenyl isomer distribution on use properties of linear alkylbenzene sulfonate: A comparison of ‘high’ and ‘low’ 2‐phenyl LAS homologs

Control of Isomer Distribution of Straight-Chain Alkylbenzenes

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