Advances in Water Resources最新文献

{"title":"Recursive analytical solution for nonequilibrium multispecies transport of decaying contaminant simultaneously coupled in both the dissolved and sorbed phases","authors":"Yu-Chieh Ho ,&nbsp;Heejun Suk ,&nbsp;Ching-Ping Liang ,&nbsp;Chen-Wuing Liu ,&nbsp;Thu-Uyen Nguyen ,&nbsp;Jui-Sheng Chen","doi":"10.1016/j.advwatres.2024.104777","DOIUrl":"10.1016/j.advwatres.2024.104777","url":null,"abstract":"<div><p>Multispecies transport analytical models that solve advection-dispersion equations (ADEs) are efficient tools for evaluating the transport of decaying contaminants and their sequential products. This study develops a novel semi-analytical model to simulate the multispecies transport of decaying contaminants, considering nonequilibrium sorption and decay in both dissolved and sorbed phases. First-order reversible kinetic sorption equations with decay processes are coupled to ADEs. Recursive analytical solutions, using the Laplace transform and generalized integral transform, are developed to address the mathematical complexity of the governing equations. The model's simulation results show excellent agreement with both numerical models and existing analytical solutions. Applied to a four-member radionuclide decay chain, the model reveals that including decay in the sorbed phase results in a lower concentration of the first member and avoids underestimating the radioactivity concentrations of daughter elements. These differences in dissolved radioactivity concentrations between models with and without sorbed phase decay may impact health risk assessments for radioactive waste disposal. Finally, this study provides a more sophisticated mathematical tool for analyzing multispecies transport in real field conditions where nonequilibrium sorption processes predominantly occur.</p></div>","PeriodicalId":7614,"journal":{"name":"Advances in Water Resources","volume":"192 ","pages":"Article 104777"},"PeriodicalIF":4.0,"publicationDate":"2024-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141945538","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Coupling Upscaled Discrete Fracture Matrix and Apparent Permeability Modelling in DFNWORKS for Shale Reservoir Simulation","authors":"Chuanyao Zhong,&nbsp;Juliana Y. Leung","doi":"10.1016/j.advwatres.2024.104776","DOIUrl":"10.1016/j.advwatres.2024.104776","url":null,"abstract":"<div><p>Modelling non-Darcy flow behaviour in shale rocks, composed of nanometer-sized pores and multi-scale fracture networks, is crucial for various subsurface energy applications. However, incorporating multiple physical mechanisms across numerous scales is not trivial. This work proposes an improved and practical upscaling workflow for coupling an Upscaled Discrete Fracture Matrix (UDFM) model and a pressure-dependent apparent permeability (<em>K_app</em>) model to capture the effects of non-Darcy flow in multi-scale fractured shale reservoirs.</p><p>First, a 3D DFN is upscaled into octree-refined continuum meshes, where equivalent rock parameters and rock-fluid functions are defined using the UDFM approach. Then, the flow simulation is coupled with a pressure-dependent <em>K_app</em> updating scheme using an existing <em>K_app</em> model and a multiple-restart technique. The effects of non-Darcy flow mechanisms (e.g., slip flow, transitional flow, Knudsen diffusion) are captured. The constructed models are then used to study the impacts of fracture network connectivity and pressure interference on production. The results of this new approach are compared against those obtained from another commercial package while preserving the advantages of DFNWORKS. Neglecting non-Darcy flow behaviours could significantly underestimate gas production and water recovery. It is illustrated that the nanoscale flow mechanisms help to enhance matrix-matrix and matrix-fracture flow. The constructed models are also utilized to study the effects of disconnected or isolated fractures, pressure interference, water retention, and shut-in durations on well performance. The proposed flexible strategies can be adopted in other commercial/open-source fractured-porous-media subsurface-flow simulation frameworks.</p></div>","PeriodicalId":7614,"journal":{"name":"Advances in Water Resources","volume":"192 ","pages":"Article 104776"},"PeriodicalIF":4.0,"publicationDate":"2024-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0309170824001635/pdfft?md5=50b873cac3676e937a0c0bbea9726e64&pid=1-s2.0-S0309170824001635-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141850529","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Flow and transport in the vadose zone: On the impact of partial saturation and Peclet number on non-Fickian, pre-asymptotic dispersion","authors":"Emma Ollivier-Triquet ,&nbsp;Benjamin Braconnier ,&nbsp;Véronique Gervais-Couplet ,&nbsp;Souhail Youssef ,&nbsp;Laurent Talon ,&nbsp;Daniela Bauer","doi":"10.1016/j.advwatres.2024.104774","DOIUrl":"10.1016/j.advwatres.2024.104774","url":null,"abstract":"<div><p>Transport phenomena in unsaturated porous media still present an important research topic. In particular, in the context of recent environmental concerns, further understanding of contaminant transport in the partially saturated vadose zone is necessary. However, there is currently a lack of understanding of the relationship between water saturation, in particular the two-phase distribution, and dispersion. This is due to the intricate interactions between the two-phase flow and the porous structure, as well as the complexity of the experimental techniques, which prevents a significant number of configurations from being analysed.</p><p>We explore passive tracer transport in two-dimensional unsaturated porous media via experimental and numerical methods. To this goal, we conduct co-injection experiments to produce two-phase distributions (air/water) at different saturations in a transparent micromodel that mimics the topology of the Bentheimer sandstone. From these experiments, we generate images using multi-scale multiple-point statistics modelling (MPS). Employing the Lattice Boltzmann method, we calculate velocity and concentration fields for both experimental and generated images under saturated and unsaturated conditions. Our results show strong similarities in velocity distributions, good agreement in concentration profiles, and a matching of dispersion characteristics between experimental and MPS-generated images. MPS enables us to create a variety of unsaturated porous media structures with different topologies but similar transport properties. From these images, we analyse transport over a large range of saturations and Peclet numbers. We observe pre-asymptotic non-Fickian transport regimes characterized by a variance increasing with time according to a power law with exponent <span><math><mrow><mi>α</mi><mo>&gt;</mo><mn>1</mn></mrow></math></span>. We find that <span><math><mi>α</mi></math></span> increases as saturation decreases, due to enhanced flow heterogeneity, and with higher Peclet numbers. This behaviour is confirmed through large-scale simulations.</p></div>","PeriodicalId":7614,"journal":{"name":"Advances in Water Resources","volume":"191 ","pages":"Article 104774"},"PeriodicalIF":4.0,"publicationDate":"2024-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141945540","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Phase behavior and black-oil simulations of Hydrogen storage in saline aquifers","authors":"Elyes Ahmed,&nbsp;Olav Møyner,&nbsp;Xavier Raynaud,&nbsp;Halvor M. Nilsen","doi":"10.1016/j.advwatres.2024.104772","DOIUrl":"10.1016/j.advwatres.2024.104772","url":null,"abstract":"<div><p>This paper focuses on the modeling of hydrogen (H2) storage in subsurface formations, particularly focusing on the equilibrium between H2 and brine and its implications for hydrogen transport properties in black-oil reservoir simulations. Initially, we evaluate and calibrate various equations of state (EoS) for H2-water and H2-brine mixtures. Our analysis ranges from the molecular-level Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) equation to a more explicit version of the Redlich–Kwong cubic EoS, and concludes with an empirical Henry–Setschenow (HS) model. These models are compared in terms of their ability to predict mutual solubilities with validation against experimental data. This study compares the strengths and limitations of each thermodynamic model, highlighting their overall good predictability across various temperatures, pressures, and salinity levels with a relatively moderate number of adjustable parameters. Subsequently, we apply these thermodynamic models to generate Pressure–Volume–Temperature (PVT) phase equilibrium data for use in black-oil simulations, focusing on the behavior of H2 in saline aquifers. Our investigation examines the effects of salt concentration, H2 solubility, molecular diffusion, and the impact of cycling frequency, injection and withdrawal rates on the storage and recoverability process. We present three numerical examples to illustrate these concepts: a 2D aquifer model, a modified benchmark originally designed for simulating the conversion of natural gas to hydrogen storage, and a 3D anticlinal dome-shaped aquifer model. These examples cover a range of complexities, such as heterogeneous permeability, porosity variations, and diverse rock types with specific entry pressures, providing a comprehensive overview of the factors influencing H2 storage in subsurface formations.</p></div>","PeriodicalId":7614,"journal":{"name":"Advances in Water Resources","volume":"191 ","pages":"Article 104772"},"PeriodicalIF":4.0,"publicationDate":"2024-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0309170824001593/pdfft?md5=8a1c8ad126611eb95a5938f6634a2163&pid=1-s2.0-S0309170824001593-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141736732","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Solute transport in unsaturated porous media with spatially correlated disorder","authors":"Ali Saeibehrouzi ,&nbsp;Ran Holtzman ,&nbsp;Petr Denissenko ,&nbsp;Soroush Abolfathi","doi":"10.1016/j.advwatres.2024.104773","DOIUrl":"10.1016/j.advwatres.2024.104773","url":null,"abstract":"<div><p>Solute transport in unsaturated porous media is of interest in many engineering and environmental applications. The interplay between small-scale, local forces and the porous microstructure exerts a strong control on the transport of fluids and solutes at the larger, macroscopic scales. Heterogeneity in pore geometry is intrinsic to natural materials across a large range of scales. This multiscale nature, and the intricate links between two-phase flow and solute transport, remain far from well understood, by and large. Here, we use high-resolution direct simulation to quantify solute mixing and dispersion behavior within correlated porous media during drainage under an unfavorable viscosity ratio. Through analysis of flow and transport at multiple realizations, we find that increasing spatial correlations in pore sizes increase the size of the required Representative Elementary Volume (REV). We show that increasing the correlation length enhances solute dispersivity through its impact on the spatial distribution of low-velocity (diffusion-dominated) and high-velocity (advection-dominated) regions. Fluid saturation is shown to directly affect diffusive mass flux among high- and low-velocity zones. Another indirect effect of correlated heterogeneity on solute transport is through its control of the drainage patterns via repeated alteration in the connectivity of flowing pathways. Our findings improve quantitative understanding of solute mixing and dispersion under two-phase conditions, highly relevant to some of our most urgent environmental problems.</p></div>","PeriodicalId":7614,"journal":{"name":"Advances in Water Resources","volume":"191 ","pages":"Article 104773"},"PeriodicalIF":4.0,"publicationDate":"2024-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S030917082400160X/pdfft?md5=b2ae67cfc6a77f2f4d487cedc01444df&pid=1-s2.0-S030917082400160X-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141848424","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Computational microfluidics of reactive transport processes with solid dissolution and self-induced multiphase flow","authors":"Chuangde Zhang ,&nbsp;Li Chen ,&nbsp;Xin Sha ,&nbsp;Qinjun Kang ,&nbsp;Zhenxue Dai ,&nbsp;Wen-Quan Tao","doi":"10.1016/j.advwatres.2024.104771","DOIUrl":"10.1016/j.advwatres.2024.104771","url":null,"abstract":"<div><p>There are still many unclear mechanisms in the multiphase reactive flow with solid dissolution processes. In this study, the reactive transport processes coupled with solid dissolution and self-induced multiphase flow in three-dimensional (3D) structures with increasing complexity is studied by developing a 3D computational microfluidic method, which considers multiphase flow, interfacial mass transport, heterogeneous chemical reactions, and solid structure evolution. Solid dissolution diagram in a simple channel in the framework of multiphase flow is proposed, with six coupled multiphase flow and solid dissolution patterns identified and the transition between different patterns discussed. Then, multiphase reactive flow in a porous chip is further studied, and the interesting 3D phenomena are discovered, including enhanced solid dissolution in the middle and enriched bubble generation at the corner along the thickness direction. Considering the importance of reactive surface area, correlations of reactive surface area-porosity-saturation with different dissolution patterns are proposed based on the pore-scale results. Finally, the computational microfluidic model is extended to investigate the multiphase reactive flow in a 3D digital core. Different dissolution patterns are recognized using the local porosity evolution character, and the corresponding pore size distribution and bubble characteristics are deciphered. These findings advance understanding of multiphase reactive transport processes and contribute to improve continuum-scale reactive transport modeling.</p></div>","PeriodicalId":7614,"journal":{"name":"Advances in Water Resources","volume":"191 ","pages":"Article 104771"},"PeriodicalIF":4.0,"publicationDate":"2024-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141629814","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Evolution of pore-scale concentration PDFs and estimation of transverse dispersion from numerical porous media column experiments","authors":"Saif Farhat ,&nbsp;Guillem Sole-Mari ,&nbsp;Daniel Hallack ,&nbsp;Diogo Bolster","doi":"10.1016/j.advwatres.2024.104770","DOIUrl":"10.1016/j.advwatres.2024.104770","url":null,"abstract":"<div><p>Knowing local concentration distributions is important for transport and mixing, particularly in porous media, yet a comprehensive understanding of them remains a challenge. Computing advancements have enabled high-resolution pore-scale simulations, offering an unprecedented opportunity for in-depth investigation of mixing. In this study we use simulation data to examine concentration distributions at the pore scale in the context of longitudinal (pseudo-one-dimensional) solute transport through a porous column. These distributions arise in a single column from heterogeneous flow at the pore-scale, which gets averaged out when upscaled and are not with reference to statistics across multiple random realizations. To measure these distributions, we first devise a semi-analytical approach to estimate the mean effective transport velocity profile for a non-uniform Darcy-scale fluid velocity, which unavoidably occurs due to the presence of lateral boundaries. This development allows sampling micro-scale concentrations over a moving surface that possesses a well defined Darcy-scale mean concentration, enabling empirical computation of the local concentration distribution. As an added benefit we find that our approach allows for the estimation of transverse dispersion coefficients, which is not typical in traditional column experiments. The implemented approach can estimate it via inverse modeling, and it agrees closely with previously published experimental data across the range of Peclet numbers we studied. We found that the measured pore-scale concentration probability density functions are best represented by a beta distribution, thus validating this longstanding hypothesis with direct evidence. Furthermore, we propose a model to describe the temporal and spatial evolution of the local concentration pdf, as well as its Péclet number dependence.</p></div>","PeriodicalId":7614,"journal":{"name":"Advances in Water Resources","volume":"191 ","pages":"Article 104770"},"PeriodicalIF":4.0,"publicationDate":"2024-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141638167","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Viscous-dependent fingering dynamics of gas invading into multi-fluids","authors":"Shuo Yang ,&nbsp;Hongxia Li ,&nbsp;Si Suo ,&nbsp;Zan Wu","doi":"10.1016/j.advwatres.2024.104757","DOIUrl":"https://doi.org/10.1016/j.advwatres.2024.104757","url":null,"abstract":"<div><p>To realize the transition of our society to a low-carbon future with innovative subsurface energy solutions, understanding the dynamic behavior of gas invading multi-fluid systems in underground pore space is critical. In this work, a joint approach of flow imaging and digital image processing is employed to investigate the fingering dynamics of gas invading multi-fluids in porous media. We examined various gas (G) invasion scenarios of a high-viscosity defending liquid (HL), low-viscosity defending liquid (LL), and their co-existing multi-fluid system, focusing on the viscosity effect. Quantification of phase saturation shows that the displacement efficiency follows the order of G<span><math><mo>→</mo></math></span>(L<span><math><mo>→</mo></math></span>L) <span><math><mo>&gt;</mo></math></span> L<span><math><mo>→</mo></math></span>L <span><math><mo>&gt;</mo></math></span> G<span><math><mo>→</mo></math></span>L, regardless of the varieties in injection flow rate in the viscous-dominated flow regime. In other words, the enhancement in displacement efficiency and potential energy savings are achieved by solely introducing a third phase without the cost of the higher pumping power. When gas invades the HL and LL multi-liquid system, the fingering pattern in G<span><math><mo>→</mo></math></span>(HL<span><math><mo>→</mo></math></span>LL) and G<span><math><mo>→</mo></math></span>(LL<span><math><mo>→</mo></math></span>HL) significantly differs and highly depends on the sequential occupation of HL and LL in the pore spaces. The previously unobserved yarn-liked gas pattern in G<span><math><mo>→</mo></math></span>(LL<span><math><mo>→</mo></math></span>HL) is suspected as the main reason for the fast gas displacement. Through Local dynamics analysis, we identified that the preferential invasion into interconnected LL channels and the inhibitory effect of scattered HL on bypass invasion are the primary mechanisms behind the formation of yarn-liked fingers. We classified two distinct categories of ganglia mobilization and connection in G<span><math><mo>→</mo></math></span>(LL<span><math><mo>→</mo></math></span>HL), i.e. “catch up to connect” and “expand to connect”. Finally, the topological connectivity of the gas finger in G<span><math><mo>→</mo></math></span>(LL<span><math><mo>→</mo></math></span>HL) is evaluated using Euler number. Euler number shows an ascending trajectory before breakthrough, followed by a rapid descent and stabilization at steady state. This signifies that disconnected ganglia emerge before breakthrough and subsequently expand and reconnect. Our new findings are of great importance for subsurface extraction/storage strategy innovation through enriching multi-fluids injection scenarios.</p></div>","PeriodicalId":7614,"journal":{"name":"Advances in Water Resources","volume":"191 ","pages":"Article 104757"},"PeriodicalIF":4.0,"publicationDate":"2024-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141543453","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"In search for representative elementary volume (REV) within heterogeneous materials: A survey of scalar and vector metrics using porous media as an example","authors":"Andrey S. Zubov ,&nbsp;Aleksey N. Khlyupin ,&nbsp;Marina V. Karsanina ,&nbsp;Kirill M. Gerke","doi":"10.1016/j.advwatres.2024.104762","DOIUrl":"10.1016/j.advwatres.2024.104762","url":null,"abstract":"<div><p>The Representative Elementary Volume (REV) concept, a cornerstone in porous system heterogeneity assessment, was initially conceived to determine the minimal domain volume suitable for homogenization and upscaling. However, the definition of REV and usability in continuum-scale models is vague. In this study, we conduct comprehensive REV analyses on multiple samples, encompassing a range of scalar and vector metrics. Our investigation probes the representativity of crucial medium characteristics, including porosity, permeability, and Euler density, alongside descriptors rooted in pore-network statistics, correlation functions, and persistence diagrams. We explore both deterministic and statistical REV sizes (dREV and sREV), facilitating a robust comparative assessment. Crucially, we introduce an novel methodology tailored for harnessing vector metrics, known for their ability to reveal intricate structural insights. Our results underscore the superiority of the sREV approach, particularly for low-content metrics, addressing inherent limitations of dREV in characterizing homogeneities in such cases. Furthermore, the sREV approach incorporates stationarity analysis into REV evaluation, ensuring result consistency between sREV and dREV under stationarity conditions. Encouragingly, our findings suggest that high-information-content metrics, notably correlation functions combined with persistence diagrams, have the potential to establish a universal REV for steady-state physical properties. This proposition warrants further verification through a comprehensive assessment and comparison of REV values across major physical properties. REV analysis plays a pivotal role not only in assessing medium properties but also in scrutinizing different descriptors of 3D images – we note that REV analysis and image/field stationarity analysis are ultimately the same techniques under the hood. The discussion based on obtained results and recent finding by other researchers advances the understanding of REV within porous media, introduces a versatile methodology with broader applications, and is expected to be useful in numerous fields including materials science, cosmology, machine learning, and more. We redefine the classical definition of REV by adding stationarity condition and upper/lower bounds on its volume. While for simplicity, in this work we shall mainly focus on porous media as immediately applicable to digital rock, petrophysics, hydrology and soil physics problems, the developed mythology can be applied to other material types - composites, biological tissues, granular matter, food engineering and numerous other types of matter.</p></div>","PeriodicalId":7614,"journal":{"name":"Advances in Water Resources","volume":"192 ","pages":"Article 104762"},"PeriodicalIF":4.0,"publicationDate":"2024-06-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141979252","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Numerical modeling and simulation of microbially induced calcite precipitation on a cement surface at the pore scale","authors":"Tao Yuan ,&nbsp;Andrea Cherkouk ,&nbsp;Cornelius Fischer","doi":"10.1016/j.advwatres.2024.104761","DOIUrl":"https://doi.org/10.1016/j.advwatres.2024.104761","url":null,"abstract":"<div><p>Accurate estimation of contaminant transport in cementitious material using numerical tools plays a key role in the risk assessments of nuclear waste disposal. At the pore scale, the increase of microbial activity, such as microbially induced calcite precipitation on cementitious material, causes changes in solid surface topography, pore network geometry, and pore water chemistry, which affect contaminant transport at the core scale and beyond. Consequently, a meaningful estimation of contaminant migration in the subsurface requires a pore-scale investigation of the influence of microbial activity on transport processes. In this study, a pore-scale reactive transport model is presented to simulate the physicochemical processes resulting from microbially induced calcite precipitation on a cement surface. Numerical investigations focus on modeling the reactive transport in a two-dimensional flow-through cell. The model results are validated by experimental data showing an increase in pH and a decrease in calcium concentration due to microbially induced calcite precipitation. Our results show heterogeneous calcite precipitation under transport-limited conditions and homogeneous calcite precipitation under reaction-limited conditions, resulting in non-uniform and uniform changes in the material surface topography. Moreover, power spectral density analysis of the surface data demonstrates that microbially induced calcite precipitation affects the surface topography via both general changes over the entire frequency and local modifications in the high-frequency region. The sensitivity studies provide a comprehensive understanding of the evolution of surface topography due to the microbially induced calcite precipitation at the pore scale, thus contributing to an improved predictability of contaminant transport at the core scale and beyond.</p></div>","PeriodicalId":7614,"journal":{"name":"Advances in Water Resources","volume":"191 ","pages":"Article 104761"},"PeriodicalIF":4.0,"publicationDate":"2024-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0309170824001489/pdfft?md5=d2c3fd0d6277b672d551e2efe5cfe2a3&pid=1-s2.0-S0309170824001489-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141543452","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}