The Relationship between Solution Structure and Crystal Nucleation: A Neutron Scattering Study of Supersaturated Methanolic Solutions of Benzoic Acid

被引：42

作者：

Burton, R. C. ^{[1
]}

Ferrari, E. S. ^{[1
]}

Davey, R. J. ^{[1
]}

Finney, J. L. ^{[2
,3
]}

Bowron, D. T. ^{[4
]}

机构：

[1] Univ Manchester, Sch Chem Engn & Analyt Sci, Mol Mat Ctr, Manchester M60 1QD, Lancs, England

[2] UCL, Dept Phys & Astron, London WC1E 6BT, England

[3] UCL, London Ctr Nanotechnol, London WC1E 6BT, England

[4] Rutherford Appleton Lab, ISIS Facil, STFC, Didcot OX11 0QX, Oxon, England

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 2010年 / 114卷 / 26期

基金：

英国工程与自然科学研究理事会;

关键词：

SOLUTION CHEMISTRY; LIQUID METHANOL; WATER-STRUCTURE; FORCE-FIELD; DIFFRACTION; SIMULATION; ETHANOL; IMPACT;

D O I：

10.1021/jp103099j

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

In this contribution, neutron scattering experiments (with isotopic substitution) of concentrated and supersaturated methanolic benzoic acid solutions combined with empirical potential structure refinement (EPSR) were used to investigate the time-averaged atomistic details of this system. Through the determination of radial distribution functions, quantitative details emerge of the solution coordination, its relationship to the nature of the crystalline phase, and the response of the solution to imposed supersaturation.

引用

页码：8807 / 8816

页数：10

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