Evidence map›Paper›PMID 38909017›Full record

ReviewNature communications2024

Bridging molecular-scale interfacial science with continuum-scale models.

Anastasia G Ilgen, Eric Borguet, Franz M Geiger, Julianne M Gibbs, Vicki H Grassian, Young-Shin Jun, Nadine Kabengi, James D Kubicki

Abstract readReview
In one paragraph

Review in Nature communications, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.

0numbers the graph read from it
0cells of the map it votes in
5citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

5 citing papers in PubMed.

  1. Article
  2. Article
  3. Article
  4. Article
  5. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

8 authors.

Anastasia G IlgenGeochemistry Department, Sandia National Laboratories, Albuquerque, NM, 87123, USA. agilgen@sandia.gov.ORCID http://orcid.org/0000-0001-7876-9387
Eric BorguetDepartment of Chemistry, Temple University, Philadelphia, PA, 19122, USA.ORCID http://orcid.org/0000-0003-0593-952X
Franz M GeigerDepartment of Chemistry, Northwestern University, Evanston, IL, 60208, USA.ORCID http://orcid.org/0000-0001-8569-4045
Julianne M GibbsDepartment of Chemistry, University of Alberta, Edmonton, AB, T6G 2G2, Canada.ORCID http://orcid.org/0000-0001-5819-2306
Vicki H GrassianDepartment of Chemistry and Biochemistry, University of California, La Jolla, CA, 92093, USA.ORCID http://orcid.org/0000-0001-5052-0045
Young-Shin JunDepartment of Energy, Environmental and Chemical Engineering, Washington University in St. Louis, St. Louis, MO, 63130, USA.ORCID http://orcid.org/0000-0003-4648-2984
Nadine KabengiDepartment of Geosciences, Georgia State University, Atlanta, GA, 30302, USA.ORCID http://orcid.org/0000-0002-1901-0992
James D KubickiDepartment of Earth, Environmental and Resource Sciences, The University of Texas at El Paso, El Paso, TX, 79968, USA.ORCID http://orcid.org/0000-0002-9277-9044

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Solid-water interfaces are crucial for clean water, conventional and renewable energy, and effective nuclear waste management. However, reflecting the complexity of reactive interfaces in continuum-scale models is a challenge, leading to oversimplified representations that often fail to predict real-world behavior. This is because these models use fixed parameters derived by averaging across a wide physicochemical range observed at the molecular scale. Recent studies have revealed the stochastic nature of molecular-level surface sites that define a variety of reaction mechanisms, rates, and products even across a single surface. To bridge the molecular knowledge and predictive continuum-scale models, we propose to represent surface properties with probability distributions rather than with discrete constant values derived by averaging across a heterogeneous surface. This conceptual shift in continuum-scale modeling requires exponentially rising computational power. By incorporating our molecular-scale understanding of solid-water interfaces into continuum-scale models we can pave the way for next generation critical technologies and novel environmental solutions.

Identifiers

PMID38909017
PMCPMC11193788

What OpenQuestion holds

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Registered trials

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.