X-ray scattering from liquid–liquid interfaces

Schlossman, Mark L.

doi:10.1016/j.physb.2004.11.034

Cited by 31 publications

(20 citation statements)

References 30 publications

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“…Previous X-ray reflectivity experiments have found that the interfacial width increases with n-alkane chain length [13][14][15]. However, recent work by us has found an opposite trend, that the longer the chain length, the smaller the interfacial width [16].…”

Section: Introductionmentioning

confidence: 72%

“…The molecular simulations results only investigated the separate water and alkane interfacial widths extracted from specific densities. In contrast, X-ray reflectivity experiment is related to electron density profiles [13][14][15]. Furthermore, due to the finite size of the simulation systems investigated previously, capillary wave broadening was not accounted for and may influence interfacial widths [17][18][19][20][21].…”

Section: Introductionmentioning

confidence: 99%

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Computational study on the effect of alkyl chain length on alkane–water interfacial width

Cummings

Wick

2013

Chemical Physics Letters

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Section: Introductionmentioning

confidence: 72%

Section: Introductionmentioning

confidence: 99%

Computational study on the effect of alkyl chain length on alkane–water interfacial width

Cummings

Wick

2013

Chemical Physics Letters

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“…For example, x-ray scattering measurements can be used to estimate the interfacial thickness, and indirectly produce a profile of the normalized electron density. 6,7 Given the experimental complications associated with interfacial studies, it makes sense to complement experimental approaches with computational studies. Since the molecular properties may be very sensitive to the distance from the interface, it is important to account for the possibility that the charge distribution of the molecules may be different near the interface.…”

Section: Introductionmentioning

confidence: 99%

Polarizable contributions to the surface tension of liquid water

Rivera

Starr

Paricaud

et al. 2006

The Journal of Chemical Physics

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Surface tension, ␥, strongly affects interfacial properties in fluids. The degree to which polarizability affects ␥ in water is thus far not well established. To address this situation, we carry out molecular dynamics simulations to study the interfacial forces acting on a slab of liquid water surrounded by vacuum using the Gaussian charge polarizable ͑GCP͒ model at 298.15 K. The GCP model incorporates both a fixed dipole due to Gaussian distributed charges and a polarizable dipole. We find a well-defined bulklike region forms with a width of Ϸ31 Å. The average density of the bulklike region agrees with the experimental value of 0.997 g / cm 3 . However, we find that the orientation of the molecules in the bulklike region is strongly influenced by the interfaces, even at a distance five molecular diameters from the interface. Specifically, the orientations of both the permanent and induced dipoles show a preferred orientation parallel to the interface. Near the interface, the preferred orientation of the dipoles becomes more pronounced and the average magnitude of the induced dipoles decreases monotonically. To quantify the degree to which molecular orientation affects ␥, we calculate the contributions to ␥ from permanent dipolar interactions, induced dipolar interactions, and dispersion forces. We find that the induced dipole interactions and the permanent dipole interactions, as well as the cross interactions, have positive contributions to ␥, and therefore contribute stability to the interface. The repulsive core interactions result in a negative contribution to ␥, which nearly cancels the positive contributions from the dipoles. The large negative core contributions to ␥ are the result of small oxygen-oxygen separation between molecules. These small separations occur due to the strong attractions between hydrogen and oxygen atoms. The final predicted value for ␥ ͑68.65 mN/ m͒ shows a deviation of Ϸ4% of the experimental value of 71.972 mN/ m. The inclusion of polarization is critical for this model to produce an accurate value.

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“…Several techniques are used to study liquid–liquid interfaces (X‐ray and neutrons scattering,4, 5 AFM,6 SEM,7 etc.). Although these methods are important tools for the observation and study of liquid–liquid interfaces, they have some drawbacks.…”

Section: Introductionmentioning

confidence: 99%

Study of liquid–liquid interfaces by an easily implemented localized NMR sequence

Mantel

Bayle

Hediger

et al. 2010

Magnetic Reson in Chemistry

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To selectively extract heavy metals from solutions containing fission products, it is essential to optimize the liquid-liquid extraction processes. Such an objective requires improving the fundamental knowledge of the different mechanisms that are involved in these processes. In that respect, we propose a localized NMR sequence named LOCSY to assess the concentration profiles of different species involved in these processes. One of the goals of this sequence is to study the products as close as possible to the liquid-liquid interface with the help of a standard NMR spectrometer of chemistry labs. The one-dimensional spatial localization along the NMR tube is obtained by a discrete stepping of the frequency-selective excitation pulses under a pulsed field gradient. Specific data processing has been developed to obtain the 1D NMR spectra as a function of the vertical position in the NMR tube. The LOCSY sequence has been tested and evaluated on three different systems: (i) a cylindrical phantom inserted in the NMR tube containing 4-methylsalicylic acid solution, (ii) D(2)O/olive oil biphasic system, and (iii) the dissolution of solid saccharose in D(2)O. These examples illustrate potential applications of the LOCSY sequence, particularly the possibility to measure concentration profiles and to study phenomena such as diffusion, provided the dynamic range is compatible with NMR timescale and sensitivity.

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X-ray scattering from liquid–liquid interfaces

Cited by 31 publications

References 30 publications

Computational study on the effect of alkyl chain length on alkane–water interfacial width

Computational study on the effect of alkyl chain length on alkane–water interfacial width

Polarizable contributions to the surface tension of liquid water

Study of liquid–liquid interfaces by an easily implemented localized NMR sequence

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