Orientational correlations in liquid and supercritical CO2: neutron diffraction experiments and molecular dynamics simulations
| العنوان: | Orientational correlations in liquid and supercritical CO2: neutron diffraction experiments and molecular dynamics simulations |
|---|---|
| المؤلفون: | P. Cipriani, F. P. Ricci, Maria Antonietta Ricci, Michele Nardone |
| المصدر: | Molecular Physics. 99:301-308 |
| بيانات النشر: | Informa UK Limited, 2001. |
| سنة النشر: | 2001 |
| مصطلحات موضوعية: | Range (particle radiation), Chemistry, Neutron diffraction, Biophysics, Shell (structure), Condensed Matter Physics, Radial distribution function, Molecular physics, Supercritical fluid, Crystallography, Correlation function (statistical mechanics), Molecular dynamics, Molecule, Physical and Theoretical Chemistry, Molecular Biology |
| الوصف: | Neutron diffraction data from sub- and supercritical CO2, collected over three different experimental runs, are analysed together, in order to investigate the evolution of the microscopic structure with the thermodynamic parameters. The relative orientations of neighbouring molecules are analysed also in terms of the angular radial correlation function, obtained by molecular dynamics simulation runs compatible with the total neutron weighted radial distribution function. Orientational correlations between neighbouring molecules are seen to persist across the whole thermodynamic range investigated. However, these are limited to the first neighbouring shell, and mainly ascribable to the quadrupolar interaction. |
| تدمد: | 1362-3028 0026-8976 |
| الوصول الحر: | https://explore.openaire.eu/search/publication?articleId=doi_________::b941663ab2d5bba3547bbbce64ee1dfbTest https://doi.org/10.1080/00268970010012329Test |
| رقم الانضمام: | edsair.doi...........b941663ab2d5bba3547bbbce64ee1dfb |
| قاعدة البيانات: | OpenAIRE |
| تدمد: | 13623028 00268976 |
|---|