Surface Tension of Binary Mixtures of Water +<i>N</i>-Methyldiethanolamine and Ternary Mixtures of This Amine and Water with Monoethanolamine, Diethanolamine, and 2-Amino-2-methyl-1-propanol from 25 to 50 °C

Álvarez, Estrella; Rendo, Raquel; Sanjurjo, Begoña; Sánchez-Vilas, M.; Navaza, José M.

doi:10.1021/je980106y

Cited by 80 publications

(64 citation statements)

References 14 publications

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“…In order to obtain the interfacial tension of water/n-alkane interface, we first calculated the surface tensions (  ) of water/ vapor and n-alkane/vapor surfaces which consist of the same number of water or n-alkane molecules as used in each phase of the water/n-alkane interface. The calculated surface tension of water/vapor at 300 K was 70.57 ± 0.51 mN/m, which agrees very well with the experimental value 71.72 mN/m [28,29]. The calculated and experimental surface tensions for n-alkane/vapor are shown in Table 2.…”

Section: Interfacial Tensionsupporting

confidence: 80%

Molecular dynamics study of the water/n-alkane interface

et al. 2010

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Molecular dynamics simulations on the interface between liquid water and liquid n-alkane (including octane, nonane, decane, undecane and dodecane) have been performed with the purpose to study the interfacial properties: (I) density profile; (II) molecular orientation; (III) interfacial tension and the temperature effect on the interfacial tension. Simulation results show that at the interface the structures of both water and n-alkane are different from those in the bulk. Water has an orientational preference due to the number of hydrogen bonds per molecule maximized. N-alkane has a more lateral orientation with respect to the interface in order to be in close contact with water. The calculated individual phase bulk density and interfacial tension of water/n-alkane systems are in good agreement with the corresponding experimental ones. molecular dynamics, water/n-alkane interface, interfacial tension

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Section: Interfacial Tensionsupporting

confidence: 80%

Molecular dynamics study of the water/n-alkane interface

et al. 2010

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“…x ij 2 + y ij of water or decane molecules as used in each phase of the decane-water and decane-surfactant-water interfaces. The calculated interfacial tension at 300 K was 21.77 ( 2.31 dyn/ cm for the decane-vacuum interface and 70.94 ( 2.25 dyn/ cm for the water-vacuum interface, which agree very well with the experimental values (23.20 dyn/cm for the decane 91 and 71.72 dyn/cm for the water 72,92 ). In addition, the interfacial tension of the decane-water interface without a surfactant was 54.70 ( 3.62 dyn/cm, which is also in good agreement with the experimental value (51.72 dyn/cm).…”

Section: Ife )supporting

confidence: 81%

Lower Cost Methods for Improved Oil Recovery (Ior) via Surfactant Flooding

Goddard¹,

Tang²,

Shuler³

et al. 2004

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This report provides a summary of the work performed in this 3-year project sponsored by DOE. The overall objective of this project is to identify new, potentially more costeffective surfactant formulations for improved oil recovery (IOR). The general approach is to use an integrated experimental and computational chemistry effort to improve our understanding of the link between surfactant structure and performance, and from this knowledge, develop improved IOR surfactant formulations. Accomplishments for the project include: 1) completion of a literature review to assemble current and new surfactant IOR ideas, 2) Development of new atomistic-level MD (molecular dynamic) modeling methodologies to calculate IFT (interfacial tension) rigorously from first principles, 3) exploration of less computationally intensive mesoscale methods to estimate IFT, Quantitative Structure Property Relationship (QSPR), and cohesive energy density (CED) calculations, 4) experiments to screen many surfactant structures for desirable low IFT and solid adsorption behavior, and 5) further experimental characterization of the more promising new candidate formulations (based on alkyl polyglycosides (APG) and alkyl propoxy sulfate surfactants).

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“…Our research group has observed this behavior for other binary systems. 7,11 In previous papers by our group and other authors, 8,13 the surface tension versus temperature data have been fit with a linear regression employing eq 4.…”

Section: Effect Of Compositionmentioning

confidence: 99%