Small angle X-ray scattering studies on aqueous solutions of the nonionic detergents Triton X-100, Lubrol WX, and two other n-alkyl polyoxyethylene ethers, in the concentration range of 5–15 mg/ml were performed and their size, degree of hydration and radii of gyration were determined. By densimetric methods the partial specific volumes were determined and compared with the values obtained from X-ray scattering techniques at different contrast. The radii of gyration for the nonionic detergents in aqueous solutions at T = 293°K were found to be in the range of R g = 29.5–34.5 A, their volumes in the range of 3.35–4.15 × 10 5 A 3 and their degree of hydration about 1.15 g H 2O/g micelle. However, the inverted micelle of Triton X-100 in hexane, containing 0.03–0.05% (w/w) water, has a radius of gyration of R g = 10.2 A. The behavior of the hydrophobic part of the Triton X-100 micelles In aqueous and nonaqueous solutions was studied with tag-labelled iodine, introduced into the phenyl ring, by means of X-ray scattering at various contrast. Assuming a two-level step function in electron density within the Triton X-100 micelles, the high electron density regions extend to R = 25.7 A ( T = 293°K), determined from the iodine labelled phenyl ring. From the correlation function, calculated directly from the scattering data, the hydrocarbon core of the tag-labelled Triton X-100 yields a maximum dimension of 48.0 A. The value of the average curvature of the tag-labelled hydrophobic core of Triton X-100 was determined to 1/23.6 A, smaller than the average radius calculated from the radius of gyration for the hydrophobic part. This shows that the core surface is convoluted, e.g., some oxyethylene chains must be embedded in the hydrophobic core, indicating that there is no direct sharp boundary between the hydrophobic interior and the oxyethylene units. Whereas the largest dimensions of the Triton X-100 micelles as well as of Lubrol WX are 107–110 A at T = 293°K, determined from the correlation function, the extension in solution of the inverted micelle of Triton X-100 was found to be 26.5 A. Density homogeneities, namely variations of the average density of the Triton X-100 particles, can introduce anomalies in I (O, p o) and R g 2 ( p o) close to buoyancy and the critical point. The data suggest that between 20–50°C the scattering data in 0.01 M TRIS-HCl are influenced by internal density fluctuations, e.g., entrapping of water, rather than micelle size.
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