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用于构建环境大数据集的混合盐系统的电荷平衡计算。

Charge balance calculations for mixed salt systems applied to a large dataset from the built environment.

机构信息

Monuments Lab, Royal Institute for Cultural Heritage (KIK-IRPA), Brussels, Belgium.

Antwerp Cultural Heritage Sciences, ARCHES, University of Antwerp, Antwerp, Belgium.

出版信息

Sci Data. 2022 Jun 17;9(1):324. doi: 10.1038/s41597-022-01445-9.

Abstract

Understanding salt mixtures in the built environment is crucial to evaluate damage phenomena. This contribution presents charge balance calculations applied to a dataset of 11412 samples taken from 338 sites, building materials showing signs of salt deterioration. Each sample includes ion concentrations of Na, K, Mg, Ca, Cl, NO, and SO adjusted to reach charge balance for data evaluation. The calculation procedure follows two distinct pathways: i) an equal adjustment of all ions, ii) adjustments to the cations in sequence related to the solubility of the theoretical solids. The procedure applied to the dataset illustrates the quantification of salt mixture compositions and highlights the extent of adjustments applied in relation to the sample mass to aid interpretation. The data analysis allows the identification of theoretical carbonates that could influence the mixture behavior. Applying the charge balance calculations to the dataset validated common ions found in the built environment and the identification of three typical mixture compositions. Additionally, the data can be used as direct input for thermodynamic modeling.

摘要

了解建筑环境中的盐混合物对于评估损坏现象至关重要。本研究通过对 338 个样本的 11412 个数据点进行电荷平衡计算,研究了建筑材料中盐类损坏的现象。每个样本都包含了经过调整以达到电荷平衡的数据点,包括 Na、K、Mg、Ca、Cl、NO 和 SO 的离子浓度。计算过程遵循两种不同的途径:i) 所有离子的均等调整,ii) 根据理论固体的溶解度顺序调整阳离子。应用于数据集的程序说明了盐混合物组成的定量分析,并强调了与样品质量相关的调整程度,以帮助解释。数据分析可以识别可能影响混合物行为的理论碳酸盐。将电荷平衡计算应用于数据集,可以验证建筑环境中常见离子的存在,并确定三种典型的混合物组成。此外,该数据集还可以直接用于热力学建模。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/09ee/9205874/2a8c2f2a6c0b/41597_2022_1445_Fig1_HTML.jpg

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