Reactive force fields for aqueous and interfacial magnesium carbonate formation
Open accessAbstract
Bicarbonate deprotonates to carbonate through a reaction with a hydroxide ion that structurally diffuses from the surface.
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
The citation lists haven’t been fetched yet
References 100 · Cited by 24
Part of this paper’s reference list could not be split into single entries.
Research works printed but not linked: 7
- Xu J, Yan C, Zhang F, Konishi H, Xu H, Teng HH. Testing the cation-hydration effect on the crystallization of Ca-Mg-CO3 systems. Proc Natl Acad Sci. 2013 Oct 29;110(44):17750-5.
- S. Miller QR, P. Kaszuba J, N. Kerisit S, Todd Schaef H, E. Bowden M, Peter McGrail B, et al. Emerging investigator series: ion diffusivities in nanoconfined interfacial water films contribute to mineral carbonation thresholds. Environ Sci Nano. 2020;7(4):1068-81.
- Miller QRS, Kaszuba JP, Schaef HT, Bowden ME, McGrail BP. Impacts of Organic Ligands on Forsterite Reactivity in Supercritical CO2 Fluids. Environ Sci Technol. 2015 Apr 7;49(7):4724-34.
- Song GL, Atrens A. Corrosion Mechanisms of Magnesium Alloys. Adv Eng Mater. 1999;1(1):11-33.
- Catti M, Pavese A, Dovesi R, Saunders VR. Static lattice and electron properties of ${\mathrm{MgCO}}_{3}$ (magnesite) calculated by ab initio periodic Hartree-Fock methods. Phys Rev B. 1993 Apr 15;47(15):9189-98.
- Zare S, Uddin KMS, Funk A, Abdolhosseini Qomi MJ. Interfacial Reaction Pathways for Docking CO2 in Natural and Synthetic Rocks. Environ Sci Technol. 2021;Under Review.
- Merte LR, Peng G, Bechstein R, Rieboldt F, Farberow CA, Grabow LC, et al. Water-Mediated Proton Hopping on an Iron Oxide Surface. Science. 2012 May 18;336(6083):889-93.
- Authors
- Zare, S., & Qomi, M. J. A.
- Affiliations
- University of California, Irvine (US)
- Corresponding author
- Qomi, Mohammad Javad Abdolhosseini
- Venue
- Physical Chemistry Chemical Physics
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2021
- Volume
- 23
- Issue
- 40
- Pages
- 23106-23123
- ISSN
- 1463-9076 (ISSN-L)
- 1463-9084
- OpenAlex
- W3202288605
- Cited by
- 24
- References
- 100
- Citations by year
- 2026: 8 · 2025: 5 · 2024: 4 · 2023: 4 · 2022: 3
- FWCI
- 0.72
- Type
- journal article
- Language
- en
- Open access
- green
- www.osti.gov
- Locations
- Physical Chemistry Chemical Physics (publishedVersion)
- PubMed (publishedVersion)
- OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information) (submittedVersion)
- Funders
- National Science Foundation (CMMI-2103125)
- Hellman Foundation
- Basic Energy Sciences (DE-SC0022301)
- Topics
- Physical Sciences › Materials Science › Biomaterials › Calcium Carbonate Crystallization and Inhibition
- Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Advanced Chemical Physics Studies
- Physical Sciences › Environmental Science › Environmental Engineering › CO2 Sequestration and Geologic Interactions
- Keywords
- reactive force field, magnesium carbonate, hydroxide ion diffusion
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
