An MD simulJtlon of 216 ST? water n~oIccules between 12-6 Lennard-Jones \wlls has been performed which extend OI:Y 20 ps at an ;~\er+x temperature of 287 I;. The oxygen atom density profile is reported and the influence of the walls on the orientation of the ester molecules and on the sclfdiffusion
A molecular dynamics study of the effect of temperature on the structure and dynamics of water between Pt walls
β Scribed by K. Foster; K. Raghavan; M. Berkowitz
- Publisher
- Elsevier Science
- Year
- 1989
- Tongue
- English
- Weight
- 591 KB
- Volume
- 162
- Category
- Article
- ISSN
- 0009-2614
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