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

Sebastiaan Godts; Michael Steiger; Scott Allan Orr; Tim De Kock; Julie Desarnaud; Hilde De Clercq; Veerle Cnudde

doi:10.1038/s41597-022-01445-9

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

Sebastiaan Godts, Michael Steiger, Scott Allan Orr, Tim De Kock, Julie Desarnaud, Hilde De Clercq, Veerle Cnudde

Ghent University

Research output: Contribution to journal › Article › Academic › peer-review

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⁺, Mg²⁺, Ca²⁺, Cl⁻, NO₃⁻, and SO₄²⁻ 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.

Original language	English
Article number	324
Pages (from-to)	1-10
Journal	Scientific data
Volume	9
Issue number	1
DOIs	https://doi.org/10.1038/s41597-022-01445-9
Publication status	Published - 17 Jun 2022

Bibliographical note

Funding Information:
The authors wish to acknowledge Mohamed Rich, Xavier Monfort, and countless interns over the years for the many site visits, sometimes deep underground or high up in church towers on wobbly scaffolding, and the thousands of tedious ion analysis preformed over the years. We also would like to thank Bhavesh Shah for his continuing efforts on a web tool integrating this work. As well as Zuzana Slizkova and Cristiana Lara Nunes at the Institute of Theoretical and Applied Mechanics (ITAM CAS, Prague) for providing ion data from four different sites in the Czech Republic to the dataset. This research was funded in whole by the Belgium Science Policy (Belspo) within the framework of BRAIN-be 2.0, Belgian Research Action through Interdisciplinary Networks: project B2/191/P1/PREDICT (Research action B2); joint PhD project PREDICT, Phase Transitions of Salts under Changing Climatic Conditions.

Publisher Copyright:
© 2022, The Author(s).

Access to Document

10.1038/s41597-022-01445-9Licence: CC BY

s41597-022-01445-9Final published version, 1.99 MBLicence: CC BY

Cite this

@article{2d82954cf73f4cb790deb37d931d357b,

title = "Charge balance calculations for mixed salt systems applied to a large dataset from the built environment",

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+, Mg2+, Ca2+, Cl−, NO3−, and SO42− 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.",

author = "Sebastiaan Godts and Michael Steiger and Orr, {Scott Allan} and {De Kock}, Tim and Julie Desarnaud and {De Clercq}, Hilde and Veerle Cnudde",

note = "Funding Information: The authors wish to acknowledge Mohamed Rich, Xavier Monfort, and countless interns over the years for the many site visits, sometimes deep underground or high up in church towers on wobbly scaffolding, and the thousands of tedious ion analysis preformed over the years. We also would like to thank Bhavesh Shah for his continuing efforts on a web tool integrating this work. As well as Zuzana Slizkova and Cristiana Lara Nunes at the Institute of Theoretical and Applied Mechanics (ITAM CAS, Prague) for providing ion data from four different sites in the Czech Republic to the dataset. This research was funded in whole by the Belgium Science Policy (Belspo) within the framework of BRAIN-be 2.0, Belgian Research Action through Interdisciplinary Networks: project B2/191/P1/PREDICT (Research action B2); joint PhD project PREDICT, Phase Transitions of Salts under Changing Climatic Conditions. Publisher Copyright: {\textcopyright} 2022, The Author(s).",

year = "2022",

month = jun,

day = "17",

doi = "10.1038/s41597-022-01445-9",

language = "English",

volume = "9",

pages = "1--10",

journal = " Scientific data",

issn = "2052-4463",

publisher = "Nature Research",

number = "1",

}

TY - JOUR

T1 - Charge balance calculations for mixed salt systems applied to a large dataset from the built environment

AU - Godts, Sebastiaan

AU - Steiger, Michael

AU - Orr, Scott Allan

AU - De Kock, Tim

AU - Desarnaud, Julie

AU - De Clercq, Hilde

AU - Cnudde, Veerle

N1 - Funding Information: The authors wish to acknowledge Mohamed Rich, Xavier Monfort, and countless interns over the years for the many site visits, sometimes deep underground or high up in church towers on wobbly scaffolding, and the thousands of tedious ion analysis preformed over the years. We also would like to thank Bhavesh Shah for his continuing efforts on a web tool integrating this work. As well as Zuzana Slizkova and Cristiana Lara Nunes at the Institute of Theoretical and Applied Mechanics (ITAM CAS, Prague) for providing ion data from four different sites in the Czech Republic to the dataset. This research was funded in whole by the Belgium Science Policy (Belspo) within the framework of BRAIN-be 2.0, Belgian Research Action through Interdisciplinary Networks: project B2/191/P1/PREDICT (Research action B2); joint PhD project PREDICT, Phase Transitions of Salts under Changing Climatic Conditions. Publisher Copyright: © 2022, The Author(s).

PY - 2022/6/17

Y1 - 2022/6/17

N2 - 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+, Mg2+, Ca2+, Cl−, NO3−, and SO42− 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.

AB - 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+, Mg2+, Ca2+, Cl−, NO3−, and SO42− 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.

UR - http://www.scopus.com/inward/record.url?scp=85132112947&partnerID=8YFLogxK

U2 - 10.1038/s41597-022-01445-9

DO - 10.1038/s41597-022-01445-9

M3 - Article

SN - 2052-4463

VL - 9

SP - 1

EP - 10

JO - Scientific data

JF - Scientific data

IS - 1

M1 - 324

ER -

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

Abstract

Bibliographical note

Access to Document

Other files and links

Fingerprint

Cite this