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DOI	10.1073/pnas.2102449118
	Carbon dioxide as a line active agent: Its impact on line tension and nucleation rate
	Bey R.; Coasne B.; Picard C.
发表日期	2021
ISSN	0027-8424
卷号	118 期号:33
英文摘要	By considering a water capillary bridge confined between two flat surfaces, we investigate the thermodynamics of the triple line delimiting this solid-liquid-vapor system when supplemented in carbon dioxide. In more detail, by means of atom-scale simulations, we show that carbon dioxide accumulates at the solid walls and, preferably, at the triple lines where it plays the role of a line active agent. The line tension of the triple line, which is quantitatively assessed using an original mechanical route, is shown to be driven by the line excess concentrations of the solute (carbon dioxide) and solvent (water). Solute accumulation at the lines decreases the negative line tension (i.e., more negative) while solvent depletion from the lines has the opposite effect. Such an unprecedented quantitative assessment of gas-induced line tension modifications shows that the absolute value of the negative line tension increases upon increasing the carbon dioxide partial pressure. As a striking example, for hydrophilic surfaces, the line tension is found to increase by more than an order of magnitude when the carbon dioxide pressure exceeds 3 MPa. By considering the coupling between line and surface effects induced by gaseous adsorption, we hypothesize from the observed gas concentration-dependent line tension a nontrivial impact on heterogeneous nucleation of nanometric critical nuclei. © 2021 National Academy of Sciences. All rights reserved.
英文关键词	Confined fluids; Fluid adsorption; Line tension thermodynamics; Three-phase coexistence
语种	英语
scopus关键词	carbon dioxide; water; adsorption; adsorption kinetics; Article; carbon dioxide partial pressure; classical nucleation theory; concentration response; line tension; nucleation rate; partial pressure; physical parameters; pressure and tension; simulation; surface tension; theory; thermodynamics
来源期刊	Proceedings of the National Academy of Sciences of the United States of America
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/238429
作者单位	Université Grenoble Alpes, National Center for Scientific Research, Laboratoire Interdisciplinaire de Physique (LIPhy), Grenoble, 38000, France
推荐引用方式 GB/T 7714	Bey R.,Coasne B.,Picard C.. Carbon dioxide as a line active agent: Its impact on line tension and nucleation rate[J],2021,118(33).
APA	Bey R.,Coasne B.,&Picard C..(2021).Carbon dioxide as a line active agent: Its impact on line tension and nucleation rate.Proceedings of the National Academy of Sciences of the United States of America,118(33).
MLA	Bey R.,et al."Carbon dioxide as a line active agent: Its impact on line tension and nucleation rate".Proceedings of the National Academy of Sciences of the United States of America 118.33(2021).