Liquid Water: Molecular Correlation Functions from X‐Ray Diffraction

1971 ◽  
Vol 55 (5) ◽  
pp. 2263-2269 ◽  
Author(s):  
A. H. Narten ◽  
H. A. Levy
1994 ◽  
Vol 49 (4-5) ◽  
pp. 530-534 ◽  
Author(s):  
Th. Halm ◽  
H. Neumann ◽  
W. Hoyer

Abstract Using X-ray diffraction, structure factors and pair correlation functions of several molten Cu-Sb alloys and pure antimony were determined and compared with published structural, thermodynamic and electronic properties. The eutectic concentration Cu37Sb63 was investigated in dependence on temperature, and a model structure factor was calculated applying a segregation model.


CrystEngComm ◽  
2018 ◽  
Vol 20 (19) ◽  
pp. 2705-2712
Author(s):  
Liangfei Ouyang ◽  
Tengfei Zheng ◽  
Liang Shen

The application of in situ powder X-ray diffraction (XRD) to monitor the polymorphic transformation and crystallization of glycine from an ionic liquid–water system is introduced.


1982 ◽  
Vol 37 (10) ◽  
pp. 1205-1210 ◽  
Author(s):  
G. Licheri ◽  
G. Paschina ◽  
G. Piccaluga ◽  
G. Pinna

Five aqueous solutions of ZnSO4 of concentrations ranging from 0.6M to 3.1 M were examined by X-ray diffraction. In the correlation functions no concentration effect on structural phenomena is detectable. The same model was then successfuly used for all cases, attributing two hydration shells to Zn2+ and one hydration shell to SO42+ . The reliability of the structural parameters obtained is discussed.


An idealized model is proposed for the arrangement of the molecules in liquid water which involves essentially a sixfold co-ordination of water molecules with four short OH...O hydrogen bonds of ~2.9 Å length and two long O...O contacts of ~3.6 Å length. An ice-like structure may contribute to a small extent also. This octahedral model has been based on evidence obtained from X-ray and infra-red absorption measurements. The model has been found to be in agreement with the density of water and the melting entropy of ice. The reliability of the radial distribution curves W(r) of liquid water obtained from recent X-ray diffraction measurements is discussed. Infra-red absorption measurements have been made of liquid HDO in excess D 2 O and H 2 O, respectively. The respective O—H and O—D stretching vibration frequencies of liquid HDO have been determined. The position (at 3400 cm -1 ) and shape of the relatively sharp single O—H stretching absorption band of liquid HDO is closely comparable to the corresponding band in liquid interbonding alcohols. The results of the infra-red studies indicate an OH...O distance of 2.86 Å in liquid water at room temperature.


1995 ◽  
Vol 50 (9) ◽  
pp. 831-836
Author(s):  
R. M. Hagenmayer ◽  
P. Lamparter ◽  
S. Steeb

Abstract The molten alloys Au28.5Mn71.5 and Au68Mn32 are investigated with the energy dispersive X-ray diffraction method which works rather fast so that the evaporation loss of Mn from the molten alloys is kept low. From the observed prepeak follows that both melts are compound-forming but the gold rich melt Au68Mn32 shows only 50% of the short range order existent within the Au28.5Mn71.5 melt. Total structure factors and total pair correlation functions are discussed.


1980 ◽  
Vol 53 (10) ◽  
pp. 2804-2808 ◽  
Author(s):  
Keiko Nishikawa ◽  
Nobuko Kitagawa

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