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从纯立方冰 I 到六方冰 I 的焓变。

Enthalpy Change from Pure Cubic Ice I to Hexagonal Ice I.

机构信息

Institute of Physical Chemistry, University of Innsbruck, Innrain 52c, A-6020 Innsbruck, Austria.

Consiglio Nazionale delle Ricerche, Istituto di Fisica Applicata 'Nello Carrara', via Madonna del Piano 10, I-50019 Sesto Fiorentino, Italy.

出版信息

J Phys Chem Lett. 2023 Jun 1;14(21):5055-5060. doi: 10.1021/acs.jpclett.3c00408. Epub 2023 May 25.

DOI:10.1021/acs.jpclett.3c00408
PMID:37227149
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10240532/
Abstract

The preparation of pure cubic ice without hexagonal stacking faults has been realized only recently by del Rosso et al. ( 2020, 19, 663-668) and Komatsu et al. ( 2020, 11, 464). With our present calorimetric study on the transition from pure cubic ice to hexagonal ice we are able to clarify the value of the enthalpy change Δ to be -37.7 ± 2.3 J mol. The transition temperature is identified as 226 K, much higher than in previous work on ice I. This is due to a catalytic effect of hexagonal faults on the transition, but even more importantly due to a relaxation exotherm that was not properly identified in the past.

摘要

最近,del Rosso 等人(2020 年,19 卷,663-668)和 Komatsu 等人(2020 年,11 卷,464)才实现了纯净立方冰而没有六方堆积缺陷的制备。通过我们目前对从纯立方冰到六方冰的转变的量热研究,我们能够澄清焓变 Δ 的值为-37.7±2.3 J mol。转变温度被确定为 226 K,远高于之前关于冰 I 的研究。这是由于六方缺陷对转变的催化作用,但更重要的是由于过去没有正确识别的弛豫放热。

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本文引用的文献

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Tracking cubic ice at molecular resolution.追踪立方冰的分子分辨率。
Nature. 2023 May;617(7959):86-91. doi: 10.1038/s41586-023-05864-5. Epub 2023 Mar 29.
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Pressure-annealed high-density amorphous ice made from vitrified water droplets: A systematic calorimetry study on water's second glass transition.由玻璃化水滴制成的压力退火高密度非晶冰:关于水的第二次玻璃化转变的系统量热研究
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Phase Equilibrium of Water with Hexagonal and Cubic Ice Using the SCAN Functional.使用SCAN泛函研究水与六方冰和立方冰的相平衡
沥青 - 冰界面准液态层厚度及粘附特性的分子动力学分析
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Calorimetric Signature of Deuterated Ice II: Turning an Endotherm to an Exotherm.重水冰II的量热特征:将吸热转变为放热。
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Cubic ice Ic without stacking defects obtained from ice XVII.从冰十七获得的无堆垛缺陷的立方冰Ic。
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Nat Commun. 2020 Feb 3;11(1):464. doi: 10.1038/s41467-020-14346-5.
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Why is the cubic structure preferred in newly formed ice?为什么立方结构在新形成的冰中更受青睐?
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10
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