| Autor: |
Shuang Wang, Qinglin Cheng, Zhidong Li, Shaosong Zhao, Yue Liu |
| Jazyk: |
angličtina |
| Rok vydání: |
2024 |
| Předmět: |
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| Zdroj: |
Molecules, Vol 29, Iss 17, p 4256 (2024) |
| Druh dokumentu: |
article |
| ISSN: |
1420-3049 |
| DOI: |
10.3390/molecules29174256 |
| Popis: |
In order to investigate the interphase mass transfer and component distribution characteristics of the CO2–water system under micro-scale and nano-scale transport conditions, a micro-scale kinetic model representing interphase mass transfer in the CO2–water/saline system is developed in this paper. The molecular dynamics method is employed to delineate the diffusion and mass transfer processes of the system’s components, revealing the extent of the effects of variations in temperature, pressure, and salt ion concentration on interphase mass transfer and component distribution characteristics. The interphase mass transfer process in the CO2–water system under transport conditions can be categorized into three stages: approach, adsorption, and entrance. As the system temperature rises and pressure decreases, the peak density of CO2 molecules at the gas–liquid interface markedly drops, with their aggregation reducing and their diffusion capability enhancing. The specific hydration structures between salt ions and water molecules hinder the entry of CO2 into the aqueous phase. Additionally, as the salt concentration in water increases, the density peak of CO2 molecules at the gas–liquid interface slightly increases, while the density value in the water phase region significantly decreases. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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