Evidence map›Paper›PMID 42050014›Full record

ArticleJournal of molecular modeling2026

Revealing the initial pyrolysis behavior of municipal solid waste by ReaxFF molecular dynamics simulation.

Zhihan Lu, Runhua Ye, Yousheng Lin, Ya Ge, Hanmin Xiao, Qing He

Abstract read
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In one paragraph

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

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0citing papers in PubMed
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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

6 authors.

Zhihan Lu *Guangdong Provincial Key Laboratory of Multi-Energy Complementary Distributed Energy Systems, School of Chemical Engineering and Energy Technology, Dongguan University of Technology, Dongguan, 523808, China.
Runhua Ye *Guangdong Provincial Key Laboratory of Multi-Energy Complementary Distributed Energy Systems, School of Chemical Engineering and Energy Technology, Dongguan University of Technology, Dongguan, 523808, China.
Yousheng LinGuangdong Provincial Key Laboratory of Multi-Energy Complementary Distributed Energy Systems, School of Chemical Engineering and Energy Technology, Dongguan University of Technology, Dongguan, 523808, China. linys@dgut.edu.cn.
Ya GeGuangdong Provincial Key Laboratory of Multi-Energy Complementary Distributed Energy Systems, School of Chemical Engineering and Energy Technology, Dongguan University of Technology, Dongguan, 523808, China.
Hanmin XiaoGuangdong Provincial Key Laboratory of Multi-Energy Complementary Distributed Energy Systems, School of Chemical Engineering and Energy Technology, Dongguan University of Technology, Dongguan, 523808, China.
Qing HeGuangdong Provincial Key Laboratory of Multi-Energy Complementary Distributed Energy Systems, School of Chemical Engineering and Energy Technology, Dongguan University of Technology, Dongguan, 523808, China.

Funding

Guangdong Basic and Applied Basic Research Foundation 2023A1515011333Guangdong Provincial University Innovation Team Project 2023KCXTD038National Natural Science Foundation of China 52306132National Natural Science Foundation of China (NSFC) 52106081
6 · The paper itself

Abstract

contextIntegrating municipal solid waste (MSW) treatment with chemical looping combustion technology offers a promising strategy for energy recovery and pollution/carbon reduction. While pyrolysis serves as the crucial first step in this process, its fundamental reaction mechanisms remain incompletely understood. This study employs ReaxFF molecular dynamics simulations to investigate early-stage pyrolysis behaviors of MSW, focusing on the effects of temperature and H

methodsIn the Forcite module of Materials Studio, the COMPASS II force field is employed to perform geometric optimization and annealing for the construction of the MSW models. ReaxFF MD calculations are conducted using the ReaxFF module within the Amsterdam Modeling Suite computational platform. Force field parameters for H/C/O/N/S/B are adopted, and temperature is controlled via the Berendsen thermostat.

Indexed as

MSWNitrogen migrationPyrolysisReaxFF molecular dynamics

Identifiers

PMID42050014

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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.