IR spectra of water droplets in no man's land and the location of the liquid-liquid critical point

被引:19
作者
Ni, Yicun [1 ]
Skinner, J. L.
机构
[1] Univ Wisconsin, Inst Theoret Chem, Madison, WI 53706 USA
关键词
NUCLEATION; SURFACE; TRANSITION; TIP4P/2005; FREQUENCY; BEHAVIOR; DENSITY; MODEL; H2O;
D O I
10.1063/1.4963736
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
No man's land is the region in the metastable phase diagram of water where it is very difficult to do experiments on liquid water because of homogeneous nucleation to the crystal. There are a number of estimates of the location in no man's land of the liquid-liquid critical point, if it exists. We suggest that published IR absorption experiments on water droplets in no man's land can provide information about the correct location. To this end, we calculate theoretical IR spectra for liquid water over a wide range of temperatures and pressures, using our E3B3 model, and use the results to argue that the temperature dependence of the experimental spectra is inconsistent with several of the estimated critical point locations, but consistent with others. Published by AIP Publishing.
引用
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页数:6
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