{"title":"孔隙尺度上微生物诱导水泥表面方解石沉淀的数值建模与模拟","authors":"Tao Yuan , Andrea Cherkouk , Cornelius Fischer","doi":"10.1016/j.advwatres.2024.104761","DOIUrl":null,"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":4.0000,"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":"0","resultStr":"{\"title\":\"Numerical modeling and simulation of microbially induced calcite precipitation on a cement surface at the pore scale\",\"authors\":\"Tao Yuan , Andrea Cherkouk , Cornelius Fischer\",\"doi\":\"10.1016/j.advwatres.2024.104761\",\"DOIUrl\":null,\"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\":4.0000,\"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\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Advances in Water Resources\",\"FirstCategoryId\":\"93\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0309170824001489\",\"RegionNum\":2,\"RegionCategory\":\"环境科学与生态学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"WATER RESOURCES\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Advances in Water Resources","FirstCategoryId":"93","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0309170824001489","RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"WATER RESOURCES","Score":null,"Total":0}
Numerical modeling and simulation of microbially induced calcite precipitation on a cement surface at the pore scale
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.
期刊介绍:
Advances in Water Resources provides a forum for the presentation of fundamental scientific advances in the understanding of water resources systems. The scope of Advances in Water Resources includes any combination of theoretical, computational, and experimental approaches used to advance fundamental understanding of surface or subsurface water resources systems or the interaction of these systems with the atmosphere, geosphere, biosphere, and human societies. Manuscripts involving case studies that do not attempt to reach broader conclusions, research on engineering design, applied hydraulics, or water quality and treatment, as well as applications of existing knowledge that do not advance fundamental understanding of hydrological processes, are not appropriate for Advances in Water Resources.
Examples of appropriate topical areas that will be considered include the following:
• Surface and subsurface hydrology
• Hydrometeorology
• Environmental fluid dynamics
• Ecohydrology and ecohydrodynamics
• Multiphase transport phenomena in porous media
• Fluid flow and species transport and reaction processes