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<p>Reactive solute transport in groundwater is strongly influenced by physical and geochemical heterogeneity, which induces scale effects and reduces the predictive accuracy of transport models. This study develops a Lagrangian-based transport model to quantify reactive solute dispersivity in multimodal heterogeneous sediments. A geostatistical framework is used to characterize reactive facies via transition probability and covariance models. These models incorporate sedimentary characteristics such as volume proportions and lengths statistics, and univariate statistics of hydraulic conductivity <InlineEquation ID="IEq1"> <EquationSource Format="TEX">\(\ln \left( K \right)\)</EquationSource> </InlineEquation> and sorption distribution coefficient <InlineEquation ID="IEq2"> <EquationSource Format="TEX">\(\ln \left( {K_{d} } \right)\)</EquationSource> </InlineEquation>. Validation with Monte Carlo simulations demonstrates that the model predicts solute transport behavior with a relative error below 5%. A global sensitivity analysis using the Monte Carlo-based Sobol’ method identifies key controls on dispersivity: <InlineEquation ID="IEq3"> <EquationSource Format="TEX">\(\alpha_{11}^{NR}\)</EquationSource> </InlineEquation> is most sensitive to the variance of <InlineEquation ID="IEq4"> <EquationSource Format="TEX">\(\ln \left( K \right)\)</EquationSource> </InlineEquation>, while <InlineEquation ID="IEq5"> <EquationSource Format="TEX">\(\alpha_{11}^{R}\)</EquationSource> </InlineEquation> and the difference <InlineEquation ID="IEq6"> <EquationSource Format="TEX">\(\Delta \alpha\)</EquationSource> </InlineEquation> are dominated by the variance of <InlineEquation ID="IEq7"> <EquationSource Format="TEX">\(\ln \left( {K_{d} } \right)\)</EquationSource> </InlineEquation>, followed by volume proportions. These findings provide a robust framework for understanding reactive solute transport in multiscale heterogeneous systems.</p>

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Quantifying the controls on reactive solute transport in multiscale heterogeneous sediments

  • 期刊论文

  • 发表日期：

    2026年1月3日

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  • Bo Li,
  • Zhenglei Zhao,
  • Sida Jia,
  • Yuzhou Xia,
  • Funing Ma,
  • Mohamad Reza Soltanian,
  • Zhenxue Dai

摘要

Reactive solute transport in groundwater is strongly influenced by physical and geochemical heterogeneity, which induces scale effects and reduces the predictive accuracy of transport models. This study develops a Lagrangian-based transport model to quantify reactive solute dispersivity in multimodal heterogeneous sediments. A geostatistical framework is used to characterize reactive facies via transition probability and covariance models. These models incorporate sedimentary characteristics such as volume proportions and lengths statistics, and univariate statistics of hydraulic conductivity \(\ln \left( K \right)\) and sorption distribution coefficient \(\ln \left( {K_{d} } \right)\) . Validation with Monte Carlo simulations demonstrates that the model predicts solute transport behavior with a relative error below 5%. A global sensitivity analysis using the Monte Carlo-based Sobol’ method identifies key controls on dispersivity: \(\alpha_{11}^{NR}\) is most sensitive to the variance of \(\ln \left( K \right)\) , while \(\alpha_{11}^{R}\) and the difference \(\Delta \alpha\) are dominated by the variance of \(\ln \left( {K_{d} } \right)\) , followed by volume proportions. These findings provide a robust framework for understanding reactive solute transport in multiscale heterogeneous systems.