Isochores and Heat Capacity of Liquid Water in Terms of the Ion–Molecular Model
Thermodynamics of liquid water in terms of a non-standard approach—the ion–molecular model—is considered. Water is represented as a dense gas of neutral H<sub>2</sub>O molecules and single charged H<sub>3</sub>O<sup>+</sup> and OH<sup>−</sup> ions. The...
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2023-03-01
|
| Series: | International Journal of Molecular Sciences |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1422-0067/24/6/5630 |
| _version_ | 1797611222522134528 |
|---|---|
| author | Alexander A. Volkov Sergey V. Chuchupal |
| author_facet | Alexander A. Volkov Sergey V. Chuchupal |
| author_sort | Alexander A. Volkov |
| collection | DOAJ |
| description | Thermodynamics of liquid water in terms of a non-standard approach—the ion–molecular model—is considered. Water is represented as a dense gas of neutral H<sub>2</sub>O molecules and single charged H<sub>3</sub>O<sup>+</sup> and OH<sup>−</sup> ions. The molecules and ions perform thermal collisional motion and interconvert due to ion exchange. The energy-rich process—vibrations of an ion in a hydration shell of molecular dipoles—well known to spectroscopists with its dielectric response at 180 cm<sup>−1</sup> (5 THz), is suggested to be key for water dynamics. Taking into account this ion–molecular oscillator, we compose an equation of state of liquid water to obtain analytical expressions for the isochores and heat capacity. |
| first_indexed | 2024-03-11T06:24:46Z |
| format | Article |
| id | doaj.art-2165eb37eca64916937fa2463dfea254 |
| institution | Directory Open Access Journal |
| issn | 1661-6596 1422-0067 |
| language | English |
| last_indexed | 2024-03-11T06:24:46Z |
| publishDate | 2023-03-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | International Journal of Molecular Sciences |
| spelling | doaj.art-2165eb37eca64916937fa2463dfea2542023-11-17T11:36:45ZengMDPI AGInternational Journal of Molecular Sciences1661-65961422-00672023-03-01246563010.3390/ijms24065630Isochores and Heat Capacity of Liquid Water in Terms of the Ion–Molecular ModelAlexander A. Volkov0Sergey V. Chuchupal1Prokhorov General Physics Institute of the Russian Academy of Sciences, Moscow 119991, RussiaProkhorov General Physics Institute of the Russian Academy of Sciences, Moscow 119991, RussiaThermodynamics of liquid water in terms of a non-standard approach—the ion–molecular model—is considered. Water is represented as a dense gas of neutral H<sub>2</sub>O molecules and single charged H<sub>3</sub>O<sup>+</sup> and OH<sup>−</sup> ions. The molecules and ions perform thermal collisional motion and interconvert due to ion exchange. The energy-rich process—vibrations of an ion in a hydration shell of molecular dipoles—well known to spectroscopists with its dielectric response at 180 cm<sup>−1</sup> (5 THz), is suggested to be key for water dynamics. Taking into account this ion–molecular oscillator, we compose an equation of state of liquid water to obtain analytical expressions for the isochores and heat capacity.https://www.mdpi.com/1422-0067/24/6/5630liquid watermodelingheat capacityisochoresequation of state |
| spellingShingle | Alexander A. Volkov Sergey V. Chuchupal Isochores and Heat Capacity of Liquid Water in Terms of the Ion–Molecular Model International Journal of Molecular Sciences liquid water modeling heat capacity isochores equation of state |
| title | Isochores and Heat Capacity of Liquid Water in Terms of the Ion–Molecular Model |
| title_full | Isochores and Heat Capacity of Liquid Water in Terms of the Ion–Molecular Model |
| title_fullStr | Isochores and Heat Capacity of Liquid Water in Terms of the Ion–Molecular Model |
| title_full_unstemmed | Isochores and Heat Capacity of Liquid Water in Terms of the Ion–Molecular Model |
| title_short | Isochores and Heat Capacity of Liquid Water in Terms of the Ion–Molecular Model |
| title_sort | isochores and heat capacity of liquid water in terms of the ion molecular model |
| topic | liquid water modeling heat capacity isochores equation of state |
| url | https://www.mdpi.com/1422-0067/24/6/5630 |
| work_keys_str_mv | AT alexanderavolkov isochoresandheatcapacityofliquidwaterintermsoftheionmolecularmodel AT sergeyvchuchupal isochoresandheatcapacityofliquidwaterintermsoftheionmolecularmodel |