Al,Si order in albite and its effect on albite dissolution processes: A Monte Carlo study

Zhang, Li; Lüttge, Andreas

doi:10.2138/am.2007.2471

Cited by 33 publications

(49 citation statements)

References 36 publications

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“…The finding is consistent with our previous study on albite (Zhang and Lü ttge, 2007). The dissolution rate is largely influenced by the anorthite content as shown in Figs.…”

Section: Effect Of (Al Si) Disordersupporting

confidence: 93%

“…algorithm have been discussed in a previous paper (Zhang and Lü ttge, 2007). We utilize the Monte Carlo method to simulate the stochastic processes of feldspar dissolution.…”

Section: Theoretical Dissolution Modelmentioning

confidence: 99%

“…The influence of various Al and Si distributions on the theoretical dissolution kinetics of feldspar is twofold (Zhang and Lü ttge, 2007): (a) the difference in thermodynamic properties of these lattice configurations has a quantitative impact on dissolution rates; and (b) at the atomic scale, domains that differ in terms of (Al, Si) distributions yield distinctly different surface configurations during the dissolution process due to the preferential removal of Al. Moreover, the inherent structural anisotropy gives rise to an anisotropic and heterogeneous distribution of surface reactivity (e.g., faces, steps, kink sites, and line defects such as screw dislocations).…”

Section: Introductionmentioning

confidence: 99%

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Theoretical approach to evaluating plagioclase dissolution mechanisms

Zhang

Lüttge

2009

Geochimica et Cosmochimica Acta

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“…The finding is consistent with our previous study on albite (Zhang and Lü ttge, 2007). The dissolution rate is largely influenced by the anorthite content as shown in Figs.…”

Section: Effect Of (Al Si) Disordersupporting

confidence: 93%

“…algorithm have been discussed in a previous paper (Zhang and Lü ttge, 2007). We utilize the Monte Carlo method to simulate the stochastic processes of feldspar dissolution.…”

Section: Theoretical Dissolution Modelmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Theoretical approach to evaluating plagioclase dissolution mechanisms

Zhang

Lüttge

2009

Geochimica et Cosmochimica Acta

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“…Wehrli (1989), for example, found the steadystate surface to scale, under far-from-equilibrium conditions, with the activation enthalpy for dissolution of an adatom, while Fernandes et al (1993), modeling anodic dissolution of a metal electrode, found a kinetic roughening transition point in the over-potential on the electrode. Recently, Zhang and Luttge (2007) used Monte-Carlo simulations to address the role of long-range ordering of atoms on the dissolution rate of albite.…”

Section: Introductionmentioning

confidence: 99%

Surface evolution of dissolving minerals investigated with a kinetic Ising model

Bandstra¹,

Brantley²

2008

Geochimica et Cosmochimica Acta

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“…Continuing with this model, Zhang and Luttge (2007) examined the role of (Al, Si) disorder on the kinetics of albite dissolution. Two different dissolution mechanisms -multilayer leaching and single-layer retreat -were tested on 48 albite configurations.…”

Section: Al Si1 Si2 Si3 Al Si1mentioning

confidence: 99%

Nuclear Energy Advanced Modeling and Simulation (NEAMS) Waste Integrated Performance and Safety Codes (IPSC) : FY10 development and integration.

Criscenti¹,

Sassani²,

Argüello³

et al. 2011

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This report describes the progress in fiscal year 2010 in developing the Waste Integrated Performance and Safety Codes (IPSC) in support of the U.S. Department of Energy (DOE) Office of Nuclear Energy Advanced Modeling and Simulation (NEAMS) Campaign. The goal of the Waste IPSC is to develop an integrated suite of computational modeling and simulation capabilities to quantitatively assess the long-term performance of waste forms in the engineered and geologic environments of a radioactive waste storage or disposal system. The Waste IPSC will provide this simulation capability (1) for a range of disposal concepts, waste form types, engineered repository designs, and geologic settings, (2) for a range of time scales and distances, (3) with appropriate consideration of the inherent uncertainties, and (4) in accordance with robust verification, validation, and software quality requirements.Waste IPSC activities in fiscal year 2010 focused on specifying a challenge problem to demonstrate proof of concept, developing a verification and validation plan, and performing an initial gap analyses to identify candidate codes and tools to support the development and integration of the Waste IPSC. The current Waste IPSC strategy is to acquire and integrate the necessary Waste IPSC capabilities wherever feasible, and develop only those capabilities that cannot be acquired or suitably integrated, verified, or validated. This year-end progress report documents the FY10 status of acquisition, development, and integration of thermal-hydrologicchemical-mechanical (THCM) code capabilities, frameworks, and enabling tools and infrastructure.iv ACKNOWLEDGEMENTS

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Al,Si order in albite and its effect on albite dissolution processes: A Monte Carlo study

Cited by 33 publications

References 36 publications

Theoretical approach to evaluating plagioclase dissolution mechanisms

Theoretical approach to evaluating plagioclase dissolution mechanisms

Surface evolution of dissolving minerals investigated with a kinetic Ising model

Nuclear Energy Advanced Modeling and Simulation (NEAMS) Waste Integrated Performance and Safety Codes (IPSC) : FY10 development and integration.

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