ArticleJournal of molecular modeling2026
Molecular simulation insights into glycerol extraction from biodiesel using deep eutectic solvents.
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.
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.
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.
Who cites it
0 citing papers in PubMed.
No citing paper in PubMed yet.
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
contextBiodiesel has emerged as a sustainable and viable alternative to fossil fuels to meet the growing global energy demand. However, crude biodiesel produces glycerol as a major byproduct, which adversely affects its quality and engine performance. Additionally, the combustion of biodiesel in the presence of glycerol emits harmful pollutants, making the effective removal of glycerol a critical step in biodiesel purification. Liquid-liquid extraction using conventional organic solvents has been explored for glycerol removal from biodiesel, but its applicability is limited by high volatility, flammability, poor selectivity, and losses of biodiesel, which compromise process safety and energy efficiency. Consequently, recent attention has shifted toward sustainable solvents, including deep eutectic solvents, which offer low volatility, reusability, and improved separation performance. In this study, deep eutectic solvents are explored as promising extraction solvents for the selective removal of glycerol from biodiesel.
methodsIn this study, classical molecular dynamics simulations were performed with the GROMACS package and the OLPS-AA force field to investigate the molecular interactions governing glycerol extraction from biodiesel using deep eutectic solvents. The DESs studied included choline chloride:urea (1:2), choline chloride:ethylene glycol (1:2), and choline chloride:ethylene glycol (1:3). Structural and dynamical properties were analyzed using radial distribution functions, hydrogen-bond analysis, and density profiles to quantify intermolecular interactions and preferential solvation behavior. The molecular-level insights obtained from these simulations were used to assess the affinity of deep eutectic solvents for glycerol by determining the glycerol distribution coefficient between the DES-rich and biodiesel-rich phases.
Indexed as
Identifiers
42090029What OpenQuestion holds
Registered trials
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.