Evidence map›Paper›PMID 38676704›Full record

ArticleThe journal of physical chemistry. B2024

Flat-Histogram Monte Carlo Simulation of Water Adsorption in Metal-Organic Frameworks.

Daniel W Siderius, Harold W Hatch, Vincent K Shen

Open access · greenAbstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in The journal of physical chemistry. B, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing papers in PubMed
2.1field-weighted citation impact, top 14% of its field
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

1 citing paper in PubMed, 13 citations in OpenAlex.

  1. 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

3 authors at 1 institution in 1 country.

Daniel W SideriusChemical Sciences Division, National Institute of Standards and Technology, Gaithersburg ,Maryland20899-8320, United States.ORCID 0000-0002-6260-7727
Harold W HatchChemical Sciences Division, National Institute of Standards and Technology, Gaithersburg ,Maryland20899-8320, United States.ORCID 0000-0003-2926-9145
Vincent K ShenChemical Sciences Division, National Institute of Standards and Technology, Gaithersburg ,Maryland20899-8320, United States.
National Institute of Standards and Technology · US

Funding

Intramural NIST DOC 9999-NIST
6 · The paper itself

Abstract

Molecular simulations of water adsorption in porous materials often converge slowly due to sampling bottlenecks that follow from hydrogen bonding and, in many cases, the formation of water clusters. These effects may be exacerbated in metal-organic framework (MOF) adsorbents, due to the presence of pore spaces (cages) that promote the formation of discrete-size clusters and hydrophobic effects (if present), among other reasons. In Grand Canonical Monte Carlo (MC) simulations, these sampling challenges are typically manifested by low MC acceptance ratios, a tendency for the simulation to become stuck in a particular loading state (i.e.,

Identifiers

PMID38676704
PMCPMC11175621
OpenAlexW4395695900

What OpenQuestion holds

Textmetadata
LicenceTDM
Read underepoch 390

Registered trials

None linked

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.