Influence of multi-species solute transport on modeling of hydrated Portland cement leaching in strong nitrate solutions

Arnold, J.; Duddu, Ravindra; Brown, Kevin G.; Kosson, David S.

doi:10.1016/j.cemconres.2017.06.002

Cited by 17 publications

(5 citation statements)

References 71 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…EPA Method 1315 was used to evaluate a mass transfer rate (U.S. EPA, 2017b). The LeachXS ( Van der Sloot et al, 2008) with ORCHESTRA (Meeussen, 2003) embedded for geochemical speciation and reactive mass transport (hereafter LeachXS/Orchestra, LXO) was used to develop a geochemical reactive transport model that considers geochemical speciation, liquid/solid partitioning, and multi-ionic diffusion (Arnold et al, 2017;ECN, 2019;Meeussen, 2003). Geochemical speciation modeling was used to simulate the equilibrium liquid-solid partitioning (LSP) of constituents obtained from EPA Method 1313 (i.e., pH-dependent LSP model) and the mass transfer release of constituents in EPA Method 1315 (i.e., monolith diffusion-controlled leaching model).…”

Section: Materials and Experimental Methodsmentioning

confidence: 99%

“…A conceptual model for simulating cement-rock interfaces is shown in Figure 6.2-3. A multi-ionic diffusion approach (Arnold et al, 2017) was used to model constituent specific diffusivity in both monolith diffusioncontrolled leaching and rock-cement interface models. The approach uses free liquid diffusivity coefficients, Di 0 , for specific constituents are summarized in Matteo et al (2020).…”

Section: Materials and Experimental Methodsmentioning

confidence: 99%

See 1 more Smart Citation

International Collaboration Activities in Geologic Disposal Research: FY2021 Progress

Birkhölzer¹,

Faybishenko²

2021

View full text Add to dashboard Cite

In some cases there may be a milestone where an item is being fabricated, maintenance is being performed on a facility, or a document is being issued through a formal document control process where it specifically calls out a formal review of the document. In these cases, documentation (e.g., inspection report, maintenance request, work planning package documentation or the documented review of the issued document through the document control process) of the completion of the activity, along with the Document Cover Sheet, is sufficient to demonstrate achieving the milestone. NOTE 2:If QRL 1, 2, or 3 is not assigned, then the QRL 4 box must be checked, and the work is understood to be performed using laboratory specific QA requirements. This includes any deliverable developed in conformance with the respective National Laboratory / Participant, DOE or NNSA-approved QA Program.

show abstract

Section: Materials and Experimental Methodsmentioning

confidence: 99%

Section: Materials and Experimental Methodsmentioning

confidence: 99%

International Collaboration Activities in Geologic Disposal Research: FY2021 Progress

Birkhölzer¹,

Faybishenko²

2021

View full text Add to dashboard Cite

show abstract

“…According to the sequential non-iterative approach (SNIA) [16,52], we split Equation (1) into two separate equations describing mass transport and chemical reaction in strong ionic solutions, respectively. The rate of chemical reaction R i will be first eliminated from the species transport Equation (1), which will yield physically incorrect ionic concentrations.…”

Section: Decoupled Formulationmentioning

confidence: 99%

Numerical Investigation of Critical Electrochemical Factors for Localized Corrosion using a Multi-species Reactive Transport Model

Sun,

Srinivasan,

Kelly

et al. 2020

Preprint

Self Cite

View full text Add to dashboard Cite

A multi-species reactive transport model based on the sequential non-iterative approach is employed to investigate two major stages involved in artificial pit experiments of stainless steel: I. Stable pitting under a salt film and II. Film-free dissolution that transitions to repassivation. Data of current density and electrical potential obtained from rapid polarization scans of pits with different depths are utilized to calibrate the elapsed time and the electrode kinetics of each stage. The local chemistry near the base of pits at different temperature and bulk concentrations is simulated to determine several critical electrochemical factors at saturation and repassivation.

show abstract

“…(Lunn et al, 1996;Van Genuchten 1985;Fujikawa and Fukui 1990;Chamkha 2005;Slodička and Balážová, 2008;Slodička and Balážová, 2010;Natarajan and Kumar 2010;Chen et al, 2012;Simpson and Ellery 2014). Numerical methods basically adopted the finite difference method (Arnold et al, 2017;Natarajan and Kumar 2018). However, the afore-mentioned works used constant transport parameter-a consideration that makes it easier to deal it mathematically.…”

Section: Introductionmentioning

confidence: 99%

Approximate analytical solutions for multispecies convection-dispersion transport equation with variable parameters

Kumbhakar

Singh

2023

Front. Earth Sci.

View full text Add to dashboard Cite

Multispecies pollutant migration often occurs in polluted groundwater systems. Most of the multispecies problems that have been dealt in the literature assume constant transport parameters, primarily because analytical solutions for varying parameters become a challenge. The present study analytically solves a two-species convection-dispersion transport equation, considering spatially varying dispersion coefficient and seepage velocity, which corresponds to the steady migration in a steady flow domain. Indeed, the methodology can be adopted for other cases, such as the transient migration in a steady flow domain and transient migration in an unsteady flow domain, without any difficulty. Three kinds of homotopy-based methods, namely the homotopy perturbation method (HPM), homotopy analysis method (HAM), and optimal homotopy asymptotic method (OHAM), are used to derive approximate analytical solutions in the form of truncated series. In homotopy analysis method, the convergence-control parameter ℏ plays a key role in the convergence of the series solution. It is observed that for a specific case of this parameter, namely ℏ=−1, the HAM-based solution recovers the HPM-based solution. For the verification of homotopy-based solutions, we utilize the MATLAB routine pdepe, which efficiently solves a class of parabolic PDEs (single/system). An excellent agreement is found between the derived analytical solutions and the numerical solutions for all three methods. Further, a quantitative assessment is carried out for the derived solutions. Also, convergence theorems are proposed for the series solutions obtained using HAM and OHAM.

show abstract

Influence of multi-species solute transport on modeling of hydrated Portland cement leaching in strong nitrate solutions

Cited by 17 publications

References 71 publications

International Collaboration Activities in Geologic Disposal Research: FY2021 Progress

International Collaboration Activities in Geologic Disposal Research: FY2021 Progress

Numerical Investigation of Critical Electrochemical Factors for Localized Corrosion using a Multi-species Reactive Transport Model

Approximate analytical solutions for multispecies convection-dispersion transport equation with variable parameters

Contact Info

Product

Resources

About