Evidence map›Paper›PMID 41953215›Full record

ArticleACS catalysis2026

Interfacial Polymerization of TEPA and HMDI: The Role of Water.

Biyuan Liu, Yonglin Zhang, Ying Zhao, Prabhat Prakash, Liyuan Huai, Hancheng Ma, Zhengtang Luo, William A Goddard, Jinglei Yang

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In one paragraph

Article in ACS catalysis, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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

0 citing papers in PubMed.

No citing paper in PubMed yet.

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

9 authors.

Biyuan LiuDepartment of Mechanical and Aerospace Engineering, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon Hong Kong 999077, China.
Yonglin ZhangDepartment of Mechanical and Aerospace Engineering, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon Hong Kong 999077, China.
Ying ZhaoDepartment of Mechanical and Aerospace Engineering, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon Hong Kong 999077, China.
Prabhat PrakashMaterials and Process Simulation Center, California Institute of Technology, Pasadena, California 91125, United States.ORCID https://orcid.org/0000-0003-1430-2379
Liyuan HuaiMaterials and Process Simulation Center, California Institute of Technology, Pasadena, California 91125, United States.
Hancheng MaDepartment of Chemical and Biological Engineering, William Mong Institute of Nano Science and Technology, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon Hong Kong 999077, China.ORCID https://orcid.org/0009-0001-2570-5029
Zhengtang LuoDepartment of Chemical and Biological Engineering, William Mong Institute of Nano Science and Technology, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon Hong Kong 999077, China.ORCID https://orcid.org/0000-0002-5134-9240
William A GoddardMaterials and Process Simulation Center, California Institute of Technology, Pasadena, California 91125, United States.ORCID https://orcid.org/0000-0003-0097-5716
Jinglei YangDepartment of Mechanical and Aerospace Engineering, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon Hong Kong 999077, China.ORCID https://orcid.org/0000-0002-9413-9016

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The interfacial polymerization (IP) between tetraethylenepentamine (TEPA) and 4,4'methylenebis (cyclohexyl isocyanate) (HMDI) at the inorganic-organic solvent interface happens so fast that it is difficult to control the reaction and the morphology of the polymer. Through quantum mechanical (QM) calculations and molecular dynamics (MD) simulations, we clarify the catalytic effect of water on the rapid IP process in the organic phase. QM results reveal that a single water molecule acts as a proton transfer bridge by establishing hydrogen bonds with both TEPA and HMDI, and the hydrogen bonds lower the free energy barriers from 15.1-16.6 kcal·mol

Indexed as

Interfacial polymerizationMachine learning potentialsProton transferReaction mechanismSolvation effectsWater catalysis

Identifiers

PMID41953215
PMCPMC13054785

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.