The choice of a thermodynamic formulation dramatically affects modelled chemical zoning in minerals

Abstract Quantifying natural processes that shape our planet is a key to understanding the geological observations. Many phenomena in the Earth are not in thermodynamic equilibrium. Cooling of the Earth, mantle convection, mountain building are examples of dynamic processes that evolve in time and s...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	L. Tajčmanová, Y. Podladchikov, E. Moulas, L. Khakimova
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/8c33b0c1e5d34b75a77bef448677a262
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

id	oai:doaj.org-article:8c33b0c1e5d34b75a77bef448677a262
record_format	dspace
spelling	oai:doaj.org-article:8c33b0c1e5d34b75a77bef448677a2622021-12-02T15:15:13ZThe choice of a thermodynamic formulation dramatically affects modelled chemical zoning in minerals10.1038/s41598-021-97568-x2045-2322https://doaj.org/article/8c33b0c1e5d34b75a77bef448677a2622021-09-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-97568-xhttps://doaj.org/toc/2045-2322Abstract Quantifying natural processes that shape our planet is a key to understanding the geological observations. Many phenomena in the Earth are not in thermodynamic equilibrium. Cooling of the Earth, mantle convection, mountain building are examples of dynamic processes that evolve in time and space and are driven by gradients. During those irreversible processes, entropy is produced. In petrology, several thermodynamic approaches have been suggested to quantify systems under chemical and mechanical gradients. Yet, their thermodynamic admissibility has not been investigated in detail. Here, we focus on a fundamental, though not yet unequivocally answered, question: which thermodynamic formulation for petrological systems under gradients is appropriate—mass or molar? We provide a comparison of both thermodynamic formulations for chemical diffusion flux, applying the positive entropy production principle as a necessary admissibility condition. Furthermore, we show that the inappropriate solution has dramatic consequences for understanding the key processes in petrology, such as chemical diffusion in the presence of pressure gradients.L. TajčmanováY. PodladchikovE. MoulasL. KhakimovaNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-9 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q L. Tajčmanová Y. Podladchikov E. Moulas L. Khakimova The choice of a thermodynamic formulation dramatically affects modelled chemical zoning in minerals
description	Abstract Quantifying natural processes that shape our planet is a key to understanding the geological observations. Many phenomena in the Earth are not in thermodynamic equilibrium. Cooling of the Earth, mantle convection, mountain building are examples of dynamic processes that evolve in time and space and are driven by gradients. During those irreversible processes, entropy is produced. In petrology, several thermodynamic approaches have been suggested to quantify systems under chemical and mechanical gradients. Yet, their thermodynamic admissibility has not been investigated in detail. Here, we focus on a fundamental, though not yet unequivocally answered, question: which thermodynamic formulation for petrological systems under gradients is appropriate—mass or molar? We provide a comparison of both thermodynamic formulations for chemical diffusion flux, applying the positive entropy production principle as a necessary admissibility condition. Furthermore, we show that the inappropriate solution has dramatic consequences for understanding the key processes in petrology, such as chemical diffusion in the presence of pressure gradients.
format	article
author	L. Tajčmanová Y. Podladchikov E. Moulas L. Khakimova
author_facet	L. Tajčmanová Y. Podladchikov E. Moulas L. Khakimova
author_sort	L. Tajčmanová
title	The choice of a thermodynamic formulation dramatically affects modelled chemical zoning in minerals
title_short	The choice of a thermodynamic formulation dramatically affects modelled chemical zoning in minerals
title_full	The choice of a thermodynamic formulation dramatically affects modelled chemical zoning in minerals
title_fullStr	The choice of a thermodynamic formulation dramatically affects modelled chemical zoning in minerals
title_full_unstemmed	The choice of a thermodynamic formulation dramatically affects modelled chemical zoning in minerals
title_sort	choice of a thermodynamic formulation dramatically affects modelled chemical zoning in minerals
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/8c33b0c1e5d34b75a77bef448677a262
work_keys_str_mv	AT ltajcmanova thechoiceofathermodynamicformulationdramaticallyaffectsmodelledchemicalzoninginminerals AT ypodladchikov thechoiceofathermodynamicformulationdramaticallyaffectsmodelledchemicalzoninginminerals AT emoulas thechoiceofathermodynamicformulationdramaticallyaffectsmodelledchemicalzoninginminerals AT lkhakimova thechoiceofathermodynamicformulationdramaticallyaffectsmodelledchemicalzoninginminerals AT ltajcmanova choiceofathermodynamicformulationdramaticallyaffectsmodelledchemicalzoninginminerals AT ypodladchikov choiceofathermodynamicformulationdramaticallyaffectsmodelledchemicalzoninginminerals AT emoulas choiceofathermodynamicformulationdramaticallyaffectsmodelledchemicalzoninginminerals AT lkhakimova choiceofathermodynamicformulationdramaticallyaffectsmodelledchemicalzoninginminerals
_version_	1718387580868755456

The choice of a thermodynamic formulation dramatically affects modelled chemical zoning in minerals

Ejemplares similares