Isotope effects in supercooled H$_2$O and D$_2$O and a corresponding-states-like rescaling of the temperature and pressure
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| Format: | Preprint |
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2024
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| _version_ | 1866914713444548608 |
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| author | Kimmel, Greg A. |
| author_facet | Kimmel, Greg A. |
| contents | Water shows anomalous properties that are enhanced upon supercooling. The unusual behavior is observed in both H$_2$O and D$_2$O, however with different temperature dependences for the two isotopes. It is often noted that comparing the properties of the isotopes at two different temperatures (i.e., a temperature shift) approximately accounts for many of the observations with a temperature shift of 7.2 K in the temperature of maximum density being the most well-known example. However, the physical justification for such a shift is unclear. Motivated by recent work demonstrating a corresponding-states-like rescaling for water properties in three classical water models that all exhibit a liquid-liquid transition and critical point (B. Uralcan, et al., J. Chem. Phys. 150, 064503 (2019)), the applicability of this approach for reconciling the differences in temperature- and pressure-dependent thermodynamic properties of H$_2$O and D$_2$O is investigated here. Utilizing previously published data and equations-of-state for H$_2$O and D$_2$O, we show that the available data and models for these isotopes are consistent with such a low temperature correspondence. These observations provide support for the hypothesis that a liquid-liquid critical point, which is predicted to occur at low temperatures and high pressures, is the origin of many of water's anomalies. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2403_08722 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Isotope effects in supercooled H$_2$O and D$_2$O and a corresponding-states-like rescaling of the temperature and pressure Kimmel, Greg A. Chemical Physics Other Condensed Matter Soft Condensed Matter Water shows anomalous properties that are enhanced upon supercooling. The unusual behavior is observed in both H$_2$O and D$_2$O, however with different temperature dependences for the two isotopes. It is often noted that comparing the properties of the isotopes at two different temperatures (i.e., a temperature shift) approximately accounts for many of the observations with a temperature shift of 7.2 K in the temperature of maximum density being the most well-known example. However, the physical justification for such a shift is unclear. Motivated by recent work demonstrating a corresponding-states-like rescaling for water properties in three classical water models that all exhibit a liquid-liquid transition and critical point (B. Uralcan, et al., J. Chem. Phys. 150, 064503 (2019)), the applicability of this approach for reconciling the differences in temperature- and pressure-dependent thermodynamic properties of H$_2$O and D$_2$O is investigated here. Utilizing previously published data and equations-of-state for H$_2$O and D$_2$O, we show that the available data and models for these isotopes are consistent with such a low temperature correspondence. These observations provide support for the hypothesis that a liquid-liquid critical point, which is predicted to occur at low temperatures and high pressures, is the origin of many of water's anomalies. |
| title | Isotope effects in supercooled H$_2$O and D$_2$O and a corresponding-states-like rescaling of the temperature and pressure |
| topic | Chemical Physics Other Condensed Matter Soft Condensed Matter |
| url | https://arxiv.org/abs/2403.08722 |