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• W2321476543 abstract "Research Article| January 01, 2013 Molecular Simulation of CO2- and CO3-Brine-Mineral Systems Laura M. Hamm; Laura M. Hamm Earth Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, U.S.A. icbourg@lbl.gov Search for other works by this author on: GSW Google Scholar Ian C. Bourg; Ian C. Bourg Earth Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, U.S.A. icbourg@lbl.gov Search for other works by this author on: GSW Google Scholar Adam F. Wallace; Adam F. Wallace Department of Geological Sciences, University of Delaware, Newark, Delaware 19716, U.S.A. Search for other works by this author on: GSW Google Scholar Benjamin Rotenberg Benjamin Rotenberg Laboratoire PECSA, CNRS and UPMC Université Paris 06, 75005 Paris, France Search for other works by this author on: GSW Google Scholar Reviews in Mineralogy and Geochemistry (2013) 77 (1): 189–228. https://doi.org/10.2138/rmg.2013.77.6 Article history first online: 09 Mar 2017 Cite View This Citation Add to Citation Manager Share Icon Share Facebook Twitter LinkedIn MailTo Tools Icon Tools Get Permissions Search Site Citation Laura M. Hamm, Ian C. Bourg, Adam F. Wallace, Benjamin Rotenberg; Molecular Simulation of CO2- and CO3-Brine-Mineral Systems. Reviews in Mineralogy and Geochemistry 2013;; 77 (1): 189–228. doi: https://doi.org/10.2138/rmg.2013.77.6 Download citation file: Ris (Zotero) Refmanager EasyBib Bookends Mendeley Papers EndNote RefWorks BibTex toolbar search Search Dropdown Menu toolbar search search input Search input auto suggest filter your search All ContentBy SocietyReviews in Mineralogy and Geochemistry Search Advanced Search Atomistic simulations—molecular dynamics (MD) and Monte Carlo (MC) simulations, ab initio and density functional theory (DFT) calculations—have proved useful in gaining insight into the molecular basis of fundamental processes in aquatic geochemistry, such as solvation, ion pair formation, adsorption, molecular diffusion, and the energetics of mineral phases (Rotenberg et al. 2007; Bickmore et al. 2009; Hamm et al. 2010; Kerisit and Liu 2010; Hofmann et al. 2012; Stack et al. 2012; Wallace et al. 2013). Key strengths of these simulations are their ability to examine the behavior of individual atoms (where spectroscopic... You do not have access to this content, please speak to your institutional administrator if you feel you should have access." @default.
• W2321476543 created "2016-06-24" @default.
• W2321476543 creator A5031753445 @default.
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• W2321476543 date "2013-01-01" @default.
• W2321476543 modified "2023-10-17" @default.
• W2321476543 title "Molecular Simulation of CO2- and CO3-Brine-Mineral Systems" @default.
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