在 t = 0.01-600oC, P = 1-3000 bars, ρH2O = 0.35-1.1 g cm-3, Im = 0 m 条件下水合和脱水单质二氧化硅的热力学性质和修订的赫尔格森-柯克姆-弗劳尔斯状态方程参数

IF 3.1 3区 地球科学 Q1 GEOCHEMISTRY & GEOPHYSICS
Colin S. Walker , Randy C. Arthur , Sohtaro Anraku , Hiroshi Sasamoto , Morihiro Mihara
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引用次数: 0

摘要

水合(Si(OH)4(aq)、SiO(OH)3- 和 SiO2(OH)22-)和相应脱水(SiO2(aq)、HSiO3- 和 SiO32-)单质二氧化硅物种的热力学性质和修订的赫尔格森-柯克姆-弗劳尔斯状态方程(r-H-K-F EoS)参数对于描述全球所有含硅化合物形成/分解反应的 pH 值、组成、温度和压力依赖性非常重要。因此,我们从文献中汇编了描述这些水合和脱水单质二氧化硅物种形成反应的实验对数 10 平衡常数 K 值,并根据需要通过特定离子相互作用理论推断出零离子强度,用于推导其热力学性质和 r-H-K-F EoS 参数。在同一项研究中对所有形成反应进行了考虑,从而对单质二氧化硅的热力学性质和 r-H-K-F EoS 参数进行了集体的、内部一致的更新,这些参数能够在 t = 0.01-600oC、P = 1-3000 bars、ρH2O = 0.35-1.1 g cm-3 和零离子强度条件下与现有的实验 log10 K 值进行令人满意的匹配。这些温度和压力限值使 t = 0.01-100oC 和 P = 1-270 bars 的括弧更加舒适,与 1 千米以下放射性废物的地质处置相关。更新所有现有地球化学热力学数据库中含硅化合物的热力学性质是必要的,尤其是在使用或给出反应性质的情况下。水合物和脱水物之间的内部一致性意味着水合物可单独用作地球化学热力学数据库的条目。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Thermodynamic properties and revised Helgeson-Kirkham-Flowers equations of state parameters of the hydrated and dehydrated monomeric silica species at t = 0.01–600oC, P = 1–3000 bars, ρH2O = 0.35–1.1 g cm−3, and Im = 0 m

The thermodynamic properties and revised Helgeson-Kirkham-Flowers equations of state (r-H-K-F EoS) parameters of the hydrated (Si(OH)4(aq), SiO(OH)3 and SiO2(OH)22−) and corresponding dehydrated (SiO2(aq), HSiO3 and SiO32−) monomeric silica species are important to describe the pH, composition, temperature, and pressure dependence of formation/breakdown reactions of all silicon-bearing compounds globally. Experimental log10 equilbrium constant, K values describing the formation reactions of these hydrated and dehydrated monomeric silica species were therefore compiled from the literature, extrapolated to zero ionic strength by specific ion interaction theory as required and used to derive their thermodynamic properties and r-H-K-F EoS parameters.

Consideration of all formation reactions in the same study provides a collective, internally consistent update to the thermodynamic properties and r-H-K-F EoS parameters of the monomeric silica species that are able to provide satisfactory matches to the available experimental log10 K values at t = 0.01–600oC, P = 1–3000 bars, ρH2O = 0.35–1.1 g cm−3, and zero ionic strength. These temperature and pressure limits comfortably bracket t = 0.01–100oC and P = 1–270 bars relevant to the geological disposal of radioactive wastes at depths of up to 1 km.

Updates to the thermodynamic properties of silicon-bearing compounds in all of the available geochemical thermodynamic databases are necessary, especially if reaction properties are used or given. Internal consistency between the hydrated and dehydrated species means that the hydrated species alone can be used as entries in geochemical thermodynamic databases.

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来源期刊
Applied Geochemistry
Applied Geochemistry 地学-地球化学与地球物理
CiteScore
6.10
自引率
8.80%
发文量
272
审稿时长
65 days
期刊介绍: Applied Geochemistry is an international journal devoted to publication of original research papers, rapid research communications and selected review papers in geochemistry and urban geochemistry which have some practical application to an aspect of human endeavour, such as the preservation of the environment, health, waste disposal and the search for resources. Papers on applications of inorganic, organic and isotope geochemistry and geochemical processes are therefore welcome provided they meet the main criterion. Spatial and temporal monitoring case studies are only of interest to our international readership if they present new ideas of broad application. Topics covered include: (1) Environmental geochemistry (including natural and anthropogenic aspects, and protection and remediation strategies); (2) Hydrogeochemistry (surface and groundwater); (3) Medical (urban) geochemistry; (4) The search for energy resources (in particular unconventional oil and gas or emerging metal resources); (5) Energy exploitation (in particular geothermal energy and CCS); (6) Upgrading of energy and mineral resources where there is a direct geochemical application; and (7) Waste disposal, including nuclear waste disposal.
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