{"title":"化学净化的反应动力学和早期行为","authors":"S Murphy, M Vynnycky, S L Mitchell, D O’Kiely","doi":"10.1093/imamat/hxae001","DOIUrl":null,"url":null,"abstract":"When a hazardous chemical soaks into a porous material such as a concrete floor, it can be difficult to remove. One approach is chemical decontamination, where a cleanser is added to react with and neutralise the contaminating agent. The goal of this paper is to investigate the reaction dynamics and the factors that affect the efficacy of the decontamination procedure. We consider a one-dimensional porous medium initially saturated with an oil-based agent. An aqueous cleanser is applied at the surface, so the two chemicals are immiscible and a boundary forms between them. A neutralising reaction takes place at this boundary in which cleanser and agent are consumed and reaction products are created. This is a Stefan problem, and the boundary between the cleanser and agent moves as the reaction proceeds. Reaction products formed at the interface may dissolve in one or both liquids. This may temporarily prevent cleanser and/or agent from reaching the reaction site, so diffusion of the chemical species, in particular the diffusion of product from the interface, plays a key role. The scenario described above was considered previously by ?? in the limit where the depth of the porous medium is large compared to the length scale over which concentrations vary inside the medium. Here, we present results that are valid for any ratio between these length scales and an analysis of agent removal times for various dimensionless parameter regimes. We also highlight the emergence of a boundary layer associated with diffusion in the oil phase for early times, where the thickness of the boundary layer is directly proportional to the square root of the time variable.","PeriodicalId":56297,"journal":{"name":"IMA Journal of Applied Mathematics","volume":null,"pages":null},"PeriodicalIF":1.4000,"publicationDate":"2024-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Reaction dynamics and early-time behaviour of chemical decontamination\",\"authors\":\"S Murphy, M Vynnycky, S L Mitchell, D O’Kiely\",\"doi\":\"10.1093/imamat/hxae001\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"When a hazardous chemical soaks into a porous material such as a concrete floor, it can be difficult to remove. One approach is chemical decontamination, where a cleanser is added to react with and neutralise the contaminating agent. The goal of this paper is to investigate the reaction dynamics and the factors that affect the efficacy of the decontamination procedure. We consider a one-dimensional porous medium initially saturated with an oil-based agent. An aqueous cleanser is applied at the surface, so the two chemicals are immiscible and a boundary forms between them. A neutralising reaction takes place at this boundary in which cleanser and agent are consumed and reaction products are created. This is a Stefan problem, and the boundary between the cleanser and agent moves as the reaction proceeds. Reaction products formed at the interface may dissolve in one or both liquids. This may temporarily prevent cleanser and/or agent from reaching the reaction site, so diffusion of the chemical species, in particular the diffusion of product from the interface, plays a key role. The scenario described above was considered previously by ?? in the limit where the depth of the porous medium is large compared to the length scale over which concentrations vary inside the medium. Here, we present results that are valid for any ratio between these length scales and an analysis of agent removal times for various dimensionless parameter regimes. We also highlight the emergence of a boundary layer associated with diffusion in the oil phase for early times, where the thickness of the boundary layer is directly proportional to the square root of the time variable.\",\"PeriodicalId\":56297,\"journal\":{\"name\":\"IMA Journal of Applied Mathematics\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":1.4000,\"publicationDate\":\"2024-01-25\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"IMA Journal of Applied Mathematics\",\"FirstCategoryId\":\"100\",\"ListUrlMain\":\"https://doi.org/10.1093/imamat/hxae001\",\"RegionNum\":4,\"RegionCategory\":\"数学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"MATHEMATICS, APPLIED\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"IMA Journal of Applied Mathematics","FirstCategoryId":"100","ListUrlMain":"https://doi.org/10.1093/imamat/hxae001","RegionNum":4,"RegionCategory":"数学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATHEMATICS, APPLIED","Score":null,"Total":0}
Reaction dynamics and early-time behaviour of chemical decontamination
When a hazardous chemical soaks into a porous material such as a concrete floor, it can be difficult to remove. One approach is chemical decontamination, where a cleanser is added to react with and neutralise the contaminating agent. The goal of this paper is to investigate the reaction dynamics and the factors that affect the efficacy of the decontamination procedure. We consider a one-dimensional porous medium initially saturated with an oil-based agent. An aqueous cleanser is applied at the surface, so the two chemicals are immiscible and a boundary forms between them. A neutralising reaction takes place at this boundary in which cleanser and agent are consumed and reaction products are created. This is a Stefan problem, and the boundary between the cleanser and agent moves as the reaction proceeds. Reaction products formed at the interface may dissolve in one or both liquids. This may temporarily prevent cleanser and/or agent from reaching the reaction site, so diffusion of the chemical species, in particular the diffusion of product from the interface, plays a key role. The scenario described above was considered previously by ?? in the limit where the depth of the porous medium is large compared to the length scale over which concentrations vary inside the medium. Here, we present results that are valid for any ratio between these length scales and an analysis of agent removal times for various dimensionless parameter regimes. We also highlight the emergence of a boundary layer associated with diffusion in the oil phase for early times, where the thickness of the boundary layer is directly proportional to the square root of the time variable.
期刊介绍:
The IMA Journal of Applied Mathematics is a direct successor of the Journal of the Institute of Mathematics and its Applications which was started in 1965. It is an interdisciplinary journal that publishes research on mathematics arising in the physical sciences and engineering as well as suitable articles in the life sciences, social sciences, and finance. Submissions should address interesting and challenging mathematical problems arising in applications. A good balance between the development of the application(s) and the analysis is expected. Papers that either use established methods to address solved problems or that present analysis in the absence of applications will not be considered.
The journal welcomes submissions in many research areas. Examples are: continuum mechanics materials science and elasticity, including boundary layer theory, combustion, complex flows and soft matter, electrohydrodynamics and magnetohydrodynamics, geophysical flows, granular flows, interfacial and free surface flows, vortex dynamics; elasticity theory; linear and nonlinear wave propagation, nonlinear optics and photonics; inverse problems; applied dynamical systems and nonlinear systems; mathematical physics; stochastic differential equations and stochastic dynamics; network science; industrial applications.