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On the existence of a scattering pre-peak in the mono-ols and diols (CROSBI ID 237810)

Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija

Požar, Martina ; Perera, Aurélien On the existence of a scattering pre-peak in the mono-ols and diols // Chemical physics letters, 671 (2017), 37-43. doi: 10.1016/j.cplett.2017.01.014

Podaci o odgovornosti

Požar, Martina ; Perera, Aurélien

engleski

On the existence of a scattering pre-peak in the mono-ols and diols

We report a computer simulation study of four 1, n-diols (1, 2-ethanediol to 1, 5- pentanediol). It is found that increasing the alkyl chain length increases chain-like clusters, and correspondingly the structure factor pre-peak, just like for mono-ols. However, our calculated X-ray intensities show that the pre-peak tends to diminish to a shoulder, in contrast with mono-ols where the pre-peak becomes more apparent with increasing alkyl chain. We attribute this contrasting finding to the fact that the alkyl chain is constrained between the two hydroxyl groups in linear diols, while they are free in linear mono-ols.

computer simulations ; alcohols ; diols ; monools ; structure factor ; scattering intensity

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Podaci o izdanju

671

2017.

37-43

objavljeno

0009-2614

1873-4448

10.1016/j.cplett.2017.01.014

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