Evidence map›Paper›PMID 31398889›Full record

ReviewMembranes2019

Molecular Modeling Investigations of Sorption and Diffusion of Small Molecules in Glassy Polymers.

Niki Vergadou, Doros N Theodorou

Abstract readReview
In one paragraph

Review in Membranes, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 22 papers.

0numbers the graph read from it
0cells of the map it votes in
22citing 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

22 citing papers in PubMed.

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  15. Upcoming Transformations in Integrated Energy/Chemicals Sectors: Some Challenges and Several Opportunities.The journal of physical chemistry. C, Nanomaterials and interfaces · 2022
    Review
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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

2 authors.

Niki VergadouMolecular Thermodynamics and Modelling of Materials Laboratory, Institute of Nanoscience and Nanotechnology, National Center for Scientific Research Demokritos, Aghia Paraskevi Attikis, GR-15310 Athens, Greece. n.vergadou@inn.demokritos.gr.
Doros N TheodorouSchool of Chemical Engineering, National Technical University of Athens, GR 15780 Athens, Greece.ORCID 0000-0002-4763-9739

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

With a wide range of applications, from energy and environmental engineering, such as in gas separations and water purification, to biomedical engineering and packaging, glassy polymeric materials remain in the core of novel membrane and state-of the art barrier technologies. This review focuses on molecular simulation methodologies implemented for the study of sorption and diffusion of small molecules in dense glassy polymeric systems. Basic concepts are introduced and systematic methods for the generation of realistic polymer configurations are briefly presented. Challenges related to the long length and time scale phenomena that govern the permeation process in the glassy polymer matrix are described and molecular simulation approaches developed to address the multiscale problem at hand are discussed.

Indexed as

coarse-grainingdiffusionkinetic Monte Carlomultiscale modelingpenetrantpermeabilitypolymersseparationssorptiontransition state theory

Identifiers

PMID31398889
PMCPMC6723301

What OpenQuestion holds

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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.