دورية أكاديمية
Ice-Crystal Nucleation in Water: Thermodynamic Driving Force and Surface Tension. Part I: Theoretical Foundation.
| العنوان: | Ice-Crystal Nucleation in Water: Thermodynamic Driving Force and Surface Tension. Part I: Theoretical Foundation. |
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| المؤلفون: | Hellmuth O; Leibniz Institute for Tropospheric Research (TROPOS), Permoserstraße 15, D-04318 Leipzig, Germany., Schmelzer JWP; Institute of Physics, University of Rostock, Albert-Einstein-Straße 23-25, D-18059 Rostock, Germany., Feistel R; Leibniz Institute for Baltic Research (IOW), Seestraße 15, D-18119 Rostock-Warnemünde, Germany. |
| المصدر: | Entropy (Basel, Switzerland) [Entropy (Basel)] 2019 Dec 30; Vol. 22 (1). Date of Electronic Publication: 2019 Dec 30. |
| نوع المنشور: | Journal Article |
| اللغة: | English |
| بيانات الدورية: | Publisher: MDPI Country of Publication: Switzerland NLM ID: 101243874 Publication Model: Electronic Cited Medium: Internet ISSN: 1099-4300 (Electronic) Linking ISSN: 10994300 NLM ISO Abbreviation: Entropy (Basel) Subsets: PubMed not MEDLINE |
| أسماء مطبوعة: | Original Publication: Basel, Switzerland : MDPI, 1999- |
| مستخلص: | A recently developed thermodynamic theory for the determination of the driving force of crystallization and the crystal-melt surface tension is applied to the ice-water system employing the new Thermodynamic Equation of Seawater TEOS-10. The deviations of approximative formulations of the driving force and the surface tension from the exact reference properties are quantified, showing that the proposed simplifications are applicable for low to moderate undercooling and pressure differences to the respective equilibrium state of water. The TEOS-10-based predictions of the ice crystallization rate revealed pressure-induced deceleration of ice nucleation with an increasing pressure, and acceleration of ice nucleation by pressure decrease. This result is in, at least, qualitative agreement with laboratory experiments and computer simulations. Both the temperature and pressure dependencies of the ice-water surface tension were found to be in line with the le Chatelier-Braun principle, in that the surface tension decreases upon increasing degree of metastability of water (by decreasing temperature and pressure), which favors nucleation to move the system back to a stable state. The reason for this behavior is discussed. Finally, the Kauzmann temperature of the ice-water system was found to amount T K = 116 K , which is far below the temperature of homogeneous freezing. The Kauzmann pressure was found to amount to p K = - 212 MPa , suggesting favor of homogeneous freezing on exerting a negative pressure on the liquid. In terms of thermodynamic properties entering the theory, the reason for the negative Kauzmann pressure is the higher mass density of water in comparison to ice at the melting point. |
| References: | J Phys Chem A. 2005 Mar 24;109(11):2540-6. (PMID: 16833556) Phys Rev Lett. 2005 Dec 2;95(23):235702. (PMID: 16384318) Phys Rev Lett. 1994 Sep 19;73(12):1632-1635. (PMID: 10056844) Phys Rev Lett. 2016 Sep 23;117(13):135702. (PMID: 27715079) Nature. 2011 Nov 23;479(7374):506-8. (PMID: 22113691) J Chem Phys. 2006 May 21;124(19):194503. (PMID: 16729821) J Phys Chem B. 2009 Apr 2;113(13):4008-16. (PMID: 18956896) J Chem Phys. 2012 Mar 7;136(9):094507. (PMID: 22401452) J Chem Phys. 2007 Nov 7;127(17):174507. (PMID: 17994827) J Chem Phys. 2006 Mar 28;124(12):124707. (PMID: 16599718) J Chem Phys. 2007 Jun 7;126(21):214505. (PMID: 17567206) Philos Trans A Math Phys Eng Sci. 2003 Mar 15;361(1804):419-28. (PMID: 12662446) Nature. 2002 Mar 28;416(6879):409-13. (PMID: 11919626) Phys Chem Chem Phys. 2019 Jan 30;21(5):2410-2418. (PMID: 30649109) Proc Natl Acad Sci U S A. 2002 Dec 10;99(25):15873-8. (PMID: 12456877) J Chem Phys. 2006 Aug 7;125(5):054512. (PMID: 16942231) Phys Rev Lett. 2005 Jul 1;95(1):015701. (PMID: 16090630) J Chem Phys. 2007 Sep 21;127(11):114504. (PMID: 17887854) J Chem Phys. 2014 Nov 14;141(18):18C529. (PMID: 25399194) Entropy (Basel). 2019 Jul 09;21(7):. (PMID: 33267384) Phys Chem Chem Phys. 2015 Feb 28;17(8):5514-37. (PMID: 25627933) J Chem Phys. 2006 Nov 21;125(19):194503. (PMID: 17129119) J Chem Phys. 2006 Jul 21;125(3):34503. (PMID: 16863358) Entropy (Basel). 2018 Feb 01;20(2):. (PMID: 33265194) J Phys Chem B. 2006 Sep 21;110(37):18126-9. (PMID: 16970424) J Chem Phys. 2005 Oct 8;123(14):144504. (PMID: 16238404) J Phys Chem B. 2005 Sep 29;109(38):17802-12. (PMID: 16853283) J Phys Chem A. 2016 Aug 25;120(33):6513-20. (PMID: 27410458) J Chem Phys. 2006 Nov 14;125(18):181103. (PMID: 17115731) Nature. 2000 Aug 10;406(6796):611-4. (PMID: 10949298) J Chem Phys. 2005 Sep 8;123(10):104505. (PMID: 16178608) |
| فهرسة مساهمة: | Keywords: Kauzmann temperature and pressure; TEOS-10; classical nucleation theory; crystallization thermodynamics; homogeneous freezing; ice–water surface tension; thermodynamic driving force of nucleation |
| تواريخ الأحداث: | Date Created: 20201208 Latest Revision: 20240329 |
| رمز التحديث: | 20240329 |
| مُعرف محوري في PubMed: | PMC7516481 |
| DOI: | 10.3390/e22010050 |
| PMID: | 33285825 |
| قاعدة البيانات: | MEDLINE |
Full Text Finder | تدمد: | 1099-4300 |
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| DOI: | 10.3390/e22010050 |