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| ¡¡ Molecular Dynamics Simulation Study on
Condensation Coefficients of Different Potential Models for Water Abstract£ºEquilibrium molecular dynamics (EMD) simulations were carried out in this
study to investigate the condensation processes of water. By using characteristic time
method£¬ the condensation coefficients for five different types of potential models (SPC£¬
SPCE£¬ TIP3P£¬ TIP4P and TIP5P) were obtained at different temperatures. The results
show that the condensation coefficient decreases with the increase of the temperature.
When the temperature is higher than 400 K£¬at the same temperature the descending order
of the condensation coefficients for different models is SPCE£¬TIP4P£¬TIP3P£¬SPC and
TIP5P ,while the difference between the coefficients of TIP4P and TIP3P is tiny. However£¬
when the temperature is lower than 400 K£¬there are no remarkable differences between the
coefficients of the five models at the same temperature. Moreover, the TIP5P can not form
the liquidª²vapor coexistent region at high temperatures (approximately higher than 520
K)£¬thus the statistic determination for the condensation coefficients fails. |
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