MinKin: A kinetic modeling program for the precipitation, dissolution, and phase transformation of minerals in aqueous solution

Hummer, Daniel R.; Heaney, Peter J.

doi:10.1016/j.chemgeo.2015.03.019

Title: MinKin: A kinetic modeling program for the precipitation, dissolution, and phase transformation of minerals in aqueous solution

Full Record
Other Related Research

Authors:: Hummer, Daniel R.; Heaney, Peter J.

Publication Date:: Mon Jun 01 00:00:00 EDT 2015

Sponsoring Org.:: USDOE

OSTI Identifier:: 1334842

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Chemical Geology

Additional Journal Information:: Journal Name: Chemical Geology Journal Volume: 405 Journal Issue: C; Journal ID: ISSN 0009-2541

Publisher:: Elsevier

Country of Publication:: Netherlands

Language:: English

Citation Formats


                    Hummer, Daniel R., and Heaney, Peter J. MinKin: A kinetic modeling program for the precipitation, dissolution, and phase transformation of minerals in aqueous solution.  Netherlands: N. p., 2015. 
Web.  doi:10.1016/j.chemgeo.2015.03.019.

Copy to clipboard


                    Hummer, Daniel R., & Heaney, Peter J. MinKin: A kinetic modeling program for the precipitation, dissolution, and phase transformation of minerals in aqueous solution.  Netherlands.  https://doi.org/10.1016/j.chemgeo.2015.03.019

Copy to clipboard


                    Hummer, Daniel R., and Heaney, Peter J. Mon .  
"MinKin: A kinetic modeling program for the precipitation, dissolution, and phase transformation of minerals in aqueous solution".  Netherlands.  https://doi.org/10.1016/j.chemgeo.2015.03.019.

Copy to clipboard


                    
@article{osti_1334842,

  title        = {MinKin: A kinetic modeling program for the precipitation, dissolution, and phase transformation of minerals in aqueous solution},

  author       = {Hummer, Daniel R. and Heaney, Peter J.},

  abstractNote = {},

  doi          = {10.1016/j.chemgeo.2015.03.019},

  journal      = {Chemical Geology},

  number       = C,

  volume       = 405,

  place        = {Netherlands},

  year         = {Mon Jun 01 00:00:00 EDT 2015},

  month        = {Mon Jun 01 00:00:00 EDT 2015}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (Publisher)

Publisher's Version of Record
https://doi.org/10.1016/j.chemgeo.2015.03.019

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 1 work

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

Similar Records in DOE PAGES and OSTI.GOV collections:

Abiotic transformation of high explosives by freshly precipitated iron minerals in aqueous Fe¹¹ solutions

Journal Article Boparai, Hardiljeet K ; Comfort, Steve ; Satapanajaru, Tunlawit ; ... - Chemosphere

Zerovalent iron barriers have become a viable treatment for field-scale cleanup of various ground water contaminants. While contact with the iron surface is important for contaminant destruction, the interstitial pore water within and near the iron barrier will be laden with aqueous, adsorbed and precipitated FeII phases. These freshly precipitated iron minerals could play an important role in transforming high explosives (HE). Our objective was to determine the transformation of RDX (hexahydro-1,3,5-trinitro-1,3,5-triazine), HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine), and TNT (2,4,6-trinitrotoluene) by freshly precipitated iron FeII/FeIII minerals. This was accomplished by quantifying the effects of initial FeII concentration, pH, and the presence of aquifermore »« less
https://doi.org/10.1016/j.chemosphere.2010.02.037
Magnesian calcite stabilities in aqueous solution: contrasts in results from dissolution of biogenic and synthetic phases and biogenic precipitation

Conference Bischoff, W D ; Agegian, C ; MacKenzie, F T - Geol. Soc. Am., Abstr. Programs; (United States)

Dissolution studies were performed on a series of biogenic and synthetic Mg - calcites to evaluate their stabilities in aqueous solution at 25/sup 0/C. Synthetic phases with MgCO/sub 3/ concentrations below 4 mole% are more stable, whereas those with higher concentrations are less stable than calcite,with stability smoothly decreasing as a function of composition. These results are similar to previous experiments involving inorganic precipitation of Mg - calcite. Biogenic samples are less table than synthetic phases, and the stability decrease does not vary smoothly with composition. For the biogenic materials, those with compositions greater than 11-13 mole% MgCO/sub 3/ aremore »« less
A kinetic model of UO/sub 2/ dissolution in acid, H/sub 2/O/sub 2/ solutions that includes uranium peroxide hydrate precipitation

Journal Article Eary, L E ; Cathles, L M - Metall. Trans., B; (United States)

Laboratory experiments have been carried out to determine the dissolution kinetics of UO/sub 2/ in the UO/sub 2/-H/sub 2/O/sub 2/-SO/sub 4/-H/sub 2/O system under conditions similar to those which occur during acid in situ leaching of sandstone uranium deposits. UO/sub 2/ dissolution proceeds by an electrochemical reaction at the UO/sub 2/ surface. Sulfate ions adsorb onto the UO/sub 2/ surface and reduce the rate of UO/sub 2/ dissolution by blocking sites of potential oxidation. UO/sup 2 +//sub 2/ precipitates as insoluble uranium peroxide hydrate (UO/sub 4/ X XH/sub 2/O), and under even moderate pH conditions can greatly reduce the UO/submore »« less
https://doi.org/10.1007/BF02654350
Phase-field modeling of two-dimensional solute precipitation/dissolution: Solid fingers and diffusion-limited precipitation

Journal Article Xu, Zhijie ; Meakin, Paul - Journal of Chemical Physics, 134(4):044137

Two-dimensional dendritic growth due to solute precipitation was simulated using a phase-field model reported earlier [Z. Xu and P. Meakin, J. Chem. Phys. 129, 014705 (2008)]. It was shown that diffusion-limited precipitation due to the chemical reaction at the solid-liquid interface posses similarities with diffusion-limited aggregation (DLA). The diffusion-limited precipitation is attained by setting the chemical reaction rate much larger compared to the solute diffusion to eliminate the effect of the interface growth kinetics. The phase-field simulation results were in reasonable agreement with the analytical solutions. The fractal solid fingers can be formed in the diffusion-limited precipitation and have amore »« less
https://doi.org/10.1063/1.3537973
Phase-field modeling of two-dimensional solute precipitation/dissolution: Solid fingers and diffusion-limited precipitation

Journal Article Xu, Zhijie ; Meakin, Paul - Journal of Chemical Physics

Two-dimensional dendritic growth due to solute precipitation was simulated using a phase-field model reported earlier [Z. Xu and P. Meakin, J. Chem. Phys. 129, 014705 (2008)]. It was shown that diffusion-limited precipitation due to the chemical reaction at the solid–liquid interface has similarities with diffusion-limited aggregation (DLA). The diffusion-limited precipitation is attained by setting the chemical reaction rate much larger compared to the solute diffusion to eliminate the effect of the interface growth kinetics. The phase-field simulation results were in reasonable agreement with the analytical solutions. The fractal solid fingers can be formed in the diffusion-limited precipitation and have amore »« less

Similar Records