A hybrid model of sulphation reactions: stochastic particles in a random continuum environment

We present a hybrid stochastic-continuum model to study the sulphation of calcium carbonate and the consequent formation of gypsum, a key phenomenon driving marble deterioration. While calcium carbonate and gypsum are continuous random fields evolving according to random ordinary differential equations, the dynamics of sulfuric acid particles follow Itô-type stochastic differential equations. The particle evolution incorporates both strong repulsion between particles via the Lennard‒Jones potential and non-local interactions with the continuum environment. The particle–continuum coupling is also achieved through a chemical reaction, which is modelled as a Poisson counting process. We simulate the spatiotemporal evolution of this corrosion process using the Euler‒Maruyama algorithm with varying initial data combined with finite elements to address spatial discretization. Despite symmetric initial data, our simulations highlight an uneven progression of corrosion due to stochastic influences in the model.

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Publication Details

Journal
Applied Mathematics in Science and Engineering
Published
2026-06-25
DOI
https://doi.org/10.1080/27690911.2026.2691359
Primary Topic
Minerals Flotation and Separation Techniques
Type
article
Field-Weighted Citation Impact
0.00

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article

A hybrid model of sulphation reactions: stochastic particles in a random continuum environment

Adrian Muntean, Stefania Ugolini, Daniela Morale, Giulia Rui
Applied Mathematics in Science and Engineering
Minerals Flotation and Separation Techniques
article

A hybrid model of sulphation reactions: stochastic particles in a random continuum environment

Adrian Muntean, Stefania Ugolini, Daniela Morale, Giulia Rui
article en

Abstract

We present a hybrid stochastic-continuum model to study the sulphation of calcium carbonate and the consequent formation of gypsum, a key phenomenon driving marble deterioration. While calcium carbonate and gypsum are continuous random fields evolving according to random ordinary differential equations, the dynamics of sulfuric acid particles follow Itô-type stochastic differential equations. The particle evolution incorporates both strong repulsion between particles via the Lennard‒Jones potential and non-local interactions with the continuum environment. The particle–continuum coupling is also achieved through a chemical reaction, which is modelled as a Poisson counting process. We simulate the spatiotemporal evolution of this corrosion process using the Euler‒Maruyama algorithm with varying initial data combined with finite elements to address spatial discretization. Despite symmetric initial data, our simulations highlight an uneven progression of corrosion due to stochastic influences in the model.

Applied Mathematics in Science and EngineeringVol. 34(1)
University of Milan (IT), Karlstad University (SE)
Istituto Nazionale di Alta Matematica "Francesco Severi", National Science Council, Energimyndigheten
Openalex Percentile: Top 100%
Minerals Flotation and Separation Techniques
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