Issue |
EPL
Volume 97, Number 5, March 2012
|
|
---|---|---|
Article Number | 56005 | |
Number of page(s) | 6 | |
Section | Condensed Matter: Structural, Mechanical and Thermal Properties | |
DOI | https://doi.org/10.1209/0295-5075/97/56005 | |
Published online | 06 March 2012 |
Different water scenarios for a primitive model with two types of hydrogen bonds
1
Institute of Systems Biology, Shanghai University - Shanghai, 200444, China
2
Center for Polymer Studies, Physics Department, Boston University - Boston, MA, 02215, USA
3
Shanghai Institute of Applied Physics, Chinese Academy of Sciences - Shanghai, 201800, China
4
Department of Physics, Yeshiva University - New York, NY, 10033, USA
5
Department of Mathematics, Shanghai University - Shanghai, 200444, China
Received:
4
November
2011
Accepted:
6
February
2012
Using a primitive water model, we find that the strength of tetrahedral interactions can change the behavior of liquid water from the liquid-liquid critical point scenario to the singularity-free scenario. Specifically, we find that the strongly tetrahedral model has a liquid-liquid critical point from which the Widom line emanates with a negative slope, but that the weakly tetrahedral model lacks the second critical point and the line of the specific heat maxima analogous to the Widom line has a positive slope. The strongly tetrahedral interaction is characterized by a double-step potential that depends on hydrogen-bond bending, while the weakly tetrahedral interaction has a uniform single-step potential.
PACS: 64.70.Ja – Liquid-liquid transitions / 61.20.Ja – Computer simulation of liquid structure / 61.20.Gy – Theory and models of liquid structure
© EPLA, 2012
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