Volume 97, Number 5, March 2012
|Number of page(s)||6|
|Section||Condensed Matter: Structural, Mechanical and Thermal Properties|
|Published online||06 March 2012|
Different water scenarios for a primitive model with two types of hydrogen bonds
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
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
Current usage metrics show cumulative count of Article Views (full-text article views including HTML views, PDF and ePub downloads, according to the available data) and Abstracts Views on Vision4Press platform.
Data correspond to usage on the plateform after 2015. The current usage metrics is available 48-96 hours after online publication and is updated daily on week days.
Initial download of the metrics may take a while.