{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,12]],"date-time":"2026-02-12T08:39:30Z","timestamp":1770885570775,"version":"3.50.1"},"reference-count":57,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2024,12,1]],"date-time":"2024-12-01T00:00:00Z","timestamp":1733011200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2024,12,1]],"date-time":"2024-12-01T00:00:00Z","timestamp":1733011200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2024,12,1]],"date-time":"2024-12-01T00:00:00Z","timestamp":1733011200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2024,12,1]],"date-time":"2024-12-01T00:00:00Z","timestamp":1733011200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2024,12,1]],"date-time":"2024-12-01T00:00:00Z","timestamp":1733011200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2024,12,1]],"date-time":"2024-12-01T00:00:00Z","timestamp":1733011200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2024,12,1]],"date-time":"2024-12-01T00:00:00Z","timestamp":1733011200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Journal of Molecular Graphics and Modelling"],"published-print":{"date-parts":[[2024,12]]},"DOI":"10.1016\/j.jmgm.2024.108871","type":"journal-article","created":{"date-parts":[[2024,9,21]],"date-time":"2024-09-21T06:28:51Z","timestamp":1726900131000},"page":"108871","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":3,"special_numbering":"C","title":["Investigation of solvent extraction of acetic acid and acetone from water in the presence of SiO2 nanoparticles using molecular dynamics simulation"],"prefix":"10.1016","volume":"133","author":[{"given":"Hojatollah","family":"Moradi","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Hossein","family":"Bahmanyar","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Hedayat","family":"Azizpour","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"78","reference":[{"key":"10.1016\/j.jmgm.2024.108871_bib1","first-page":"11","article-title":"Progression and application of acetic-acid-recovery technology","volume":"4","author":"Jie","year":"2010","journal-title":"Fine Chemical Industrial Raw Materials & Intermediates"},{"issue":"9","key":"10.1016\/j.jmgm.2024.108871_bib2","first-page":"3207","article-title":"Overview on recovery technologies of refinery dry gas","volume":"34","author":"Zhang","year":"2015","journal-title":"Chem. Ind. Eng. Prog."},{"issue":"3","key":"10.1016\/j.jmgm.2024.108871_bib3","doi-asserted-by":"crossref","first-page":"449","DOI":"10.1002\/aic.690310312","article-title":"A nonequilibrium stage model of multicomponent separation processes. Part I: model description and method of solution","volume":"31","author":"Krishnamurthy","year":"1985","journal-title":"AIChE J."},{"issue":"11","key":"10.1016\/j.jmgm.2024.108871_bib4","doi-asserted-by":"crossref","DOI":"10.1016\/j.heliyon.2020.e05385","article-title":"Prediction of methane diffusion coefficient in water using molecular dynamics simulation","volume":"6","author":"Moradi","year":"2020","journal-title":"Heliyon"},{"key":"10.1016\/j.jmgm.2024.108871_bib5","volume":"vol. 2","author":"Taylor","year":"1993"},{"issue":"6","key":"10.1016\/j.jmgm.2024.108871_bib6","doi-asserted-by":"crossref","first-page":"531","DOI":"10.1016\/S0255-2701(00)00151-3","article-title":"Predicting diffusivities in liquids by the group contribution method","volume":"40","author":"Fei","year":"2001","journal-title":"Chem. Eng. Process: Process Intensif."},{"issue":"3","key":"10.1016\/j.jmgm.2024.108871_bib7","doi-asserted-by":"crossref","first-page":"508","DOI":"10.1002\/cjce.20448","article-title":"Prediction of enhancement factor for mass transfer coefficient in regular packed liquid\u2013liquid extraction columns","volume":"89","author":"Rahbar","year":"2011","journal-title":"Can. J. Chem. Eng."},{"issue":"3","key":"10.1016\/j.jmgm.2024.108871_bib8","doi-asserted-by":"crossref","first-page":"372","DOI":"10.1021\/je60054a008","article-title":"Predicting gas-liquid diffusivities","volume":"17","author":"Akgerman","year":"1972","journal-title":"J. Chem. Eng. Data"},{"issue":"3","key":"10.1016\/j.jmgm.2024.108871_bib9","doi-asserted-by":"crossref","first-page":"506","DOI":"10.1002\/cjce.21679","article-title":"Study of droplet behaviour along a pulsed liquid\u2013liquid extraction column in the presence of nanoparticles","volume":"91","author":"Khoobi","year":"2013","journal-title":"Can. J. Chem. Eng."},{"key":"10.1016\/j.jmgm.2024.108871_bib10","doi-asserted-by":"crossref","first-page":"84","DOI":"10.1016\/j.cep.2016.03.002","article-title":"Investigating the effect of nanoparticles on the dispersed phase mass transfer coefficient in a rotary disc column","volume":"104","author":"Rouina","year":"2016","journal-title":"Chem. Eng. Process: Process Intensif."},{"key":"10.1016\/j.jmgm.2024.108871_bib11","doi-asserted-by":"crossref","first-page":"494","DOI":"10.1016\/j.cherd.2014.09.007","article-title":"Investigation of characteristic velocity in a pulsed packed column in the presence of SiO2 nanoparticles","volume":"94","author":"Rezamohammadi","year":"2015","journal-title":"Chem. Eng. Res. Des."},{"issue":"4","key":"10.1016\/j.jmgm.2024.108871_bib12","doi-asserted-by":"crossref","first-page":"567","DOI":"10.1115\/1.1571080","article-title":"Temperature dependence of thermal conductivity enhancement for nanofluids","volume":"125","author":"Das","year":"2003","journal-title":"J. Heat Tran."},{"issue":"24","key":"10.1016\/j.jmgm.2024.108871_bib13","doi-asserted-by":"crossref","first-page":"6887","DOI":"10.1016\/j.ces.2005.06.006","article-title":"Local hydrodynamics of gas\u2013liquid-nanoparticles three-phase fluidization","volume":"60","author":"Feng","year":"2005","journal-title":"Chem. Eng. Sci."},{"issue":"6","key":"10.1016\/j.jmgm.2024.108871_bib14","doi-asserted-by":"crossref","first-page":"855","DOI":"10.1016\/j.ijheatfluidflow.2005.10.005","article-title":"Formulation of nano fluids for natural convective heat transfer applications","volume":"26","author":"Wen","year":"2005","journal-title":"Int. J. Heat Fluid Flow"},{"key":"10.1016\/j.jmgm.2024.108871_bib15","doi-asserted-by":"crossref","first-page":"514","DOI":"10.1016\/j.ultsonch.2017.10.016","article-title":"Compensating effect of ultrasonic waves on retarding action of nanoparticles in drops liquid\u2013liquid extraction","volume":"41","author":"Saien","year":"2018","journal-title":"Ultrason. Sonochem."},{"issue":"1","key":"10.1016\/j.jmgm.2024.108871_bib16","doi-asserted-by":"crossref","first-page":"285","DOI":"10.1002\/cjce.22911","article-title":"Drop behaviour characteristics in different operating regimes in an L-shaped pulsed sieve-plate column","volume":"96","author":"Amani","year":"2018","journal-title":"Can. J. Chem. Eng."},{"key":"10.1016\/j.jmgm.2024.108871_bib17","doi-asserted-by":"crossref","first-page":"1198","DOI":"10.1016\/j.cep.2011.08.008","article-title":"The influence of nanoparticles on hydrodynamic characteristics and mass transfer performance in a pulsed liquid\u2013liquid extraction column","volume":"50","author":"Bahmanyar","year":"2011","journal-title":"Chem. Eng. Process"},{"key":"10.1016\/j.jmgm.2024.108871_bib18","doi-asserted-by":"crossref","first-page":"74","DOI":"10.1016\/j.seppur.2015.07.031","article-title":"The influence of silica nanoparticles on hydrodynamics and mass transfer in spray liquid-liquid extraction column","volume":"151","author":"Ashrafmansouri","year":"2015","journal-title":"Separ. Purif. Technol."},{"key":"10.1016\/j.jmgm.2024.108871_bib19","series-title":"Science and Practice of Liquid-Liquid Extraction","first-page":"2","author":"Thornton","year":"1999"},{"issue":"1","key":"10.1016\/j.jmgm.2024.108871_bib20","doi-asserted-by":"crossref","first-page":"43","DOI":"10.15282\/ijets.5.2016.1.6.1045","article-title":"Effect of temperature on diffusivity of monoethanolamine (MEA) on absorption process for CO2 capture","volume":"3","author":"Masiren","year":"2016","journal-title":"International Journal of Engineering Technology and Sciences"},{"key":"10.1016\/j.jmgm.2024.108871_bib21","doi-asserted-by":"crossref","first-page":"91","DOI":"10.1016\/j.clay.2015.11.026","article-title":"Experimental and molecular dynamics study on anion diffusion in organically modified bentonite","volume":"120","author":"Schampera","year":"2016","journal-title":"Appl. Clay Sci."},{"key":"10.1016\/j.jmgm.2024.108871_bib22","doi-asserted-by":"crossref","DOI":"10.1016\/j.inoche.2020.108048","article-title":"Molecular dynamics simulation of H2S adsorption behavior on the surface of activated carbon","volume":"118","author":"Moradi","year":"2020","journal-title":"Inorg. Chem. Commun."},{"key":"10.1016\/j.jmgm.2024.108871_bib23","doi-asserted-by":"crossref","first-page":"70","DOI":"10.1016\/j.cjche.2021.05.034","article-title":"Molecular dynamic simulation of carbon dioxide, methane, and nitrogen adsorption on Faujasite zeolite","volume":"43","author":"Moradi","year":"2022","journal-title":"Chin. J. Chem. Eng."},{"issue":"7","key":"10.1016\/j.jmgm.2024.108871_bib24","doi-asserted-by":"crossref","first-page":"1221","DOI":"10.1002\/ceat.202000356","article-title":"Effect of Si\/Al ratio in the faujasite structure on adsorption of methane and nitrogen: a molecular dynamics study","volume":"44","author":"Moradi","year":"2021","journal-title":"Chem. Eng. Technol."},{"issue":"5","key":"10.1016\/j.jmgm.2024.108871_bib25","doi-asserted-by":"crossref","first-page":"489","DOI":"10.1515\/cppm-2021-0014","article-title":"Performance of molecular dynamics simulation for predicting of solvation free energy of neutral solutes in methanol","volume":"17","author":"Emamian","year":"2021","journal-title":"Chem. Prod. Process Model."},{"key":"10.1016\/j.jmgm.2024.108871_bib26","first-page":"1","article-title":"Enhancement of supercritical carbon dioxide solubility models using molecular simulation data","author":"Moradi","year":"2022","journal-title":"Kor. J. Chem. Eng."},{"key":"10.1016\/j.jmgm.2024.108871_bib27","doi-asserted-by":"crossref","DOI":"10.1016\/j.molliq.2022.121015","article-title":"Determination of diffusion coefficient of C2H6 and CO2 in hydrocarbon solvents by molecular dynamics simulation","volume":"370","author":"Moradi","year":"2023","journal-title":"J. Mol. Liq."},{"key":"10.1016\/j.jmgm.2024.108871_bib28","doi-asserted-by":"crossref","DOI":"10.1016\/j.powtec.2023.118329","article-title":"Study of adsorption of propane and propylene on CHA zeolite in different Si\/Al ratios using molecular dynamics simulation","author":"Moradi","year":"2023","journal-title":"Powder Technol."},{"issue":"10","key":"10.1016\/j.jmgm.2024.108871_bib29","doi-asserted-by":"crossref","first-page":"2167","DOI":"10.1002\/ceat.202200588","article-title":"Supercritical methanol and ethanol solubility estimation by using molecular dynamics simulation","volume":"46","author":"Hojatollah","year":"2023","journal-title":"Chem. Eng. Technol."},{"issue":"9","key":"10.1016\/j.jmgm.2024.108871_bib30","doi-asserted-by":"crossref","first-page":"1950","DOI":"10.1002\/ceat.202200629","article-title":"Prediction of Water\u2010Methanol Mixture Properties by Molecular Dynamics Simulation","volume":"46","author":"Hojatollah","year":"2023","journal-title":"Chem. Eng. Technol."},{"key":"10.1016\/j.jmgm.2024.108871_bib31","doi-asserted-by":"crossref","first-page":"118","DOI":"10.1016\/j.jfoodeng.2018.02.014","article-title":"Phospholipids in chocolate: structural insights and mechanistic explanations of rheological behavior by coarse-grained molecular dynamics simulations","volume":"228","author":"Kindlein","year":"2018","journal-title":"J. Food Eng."},{"key":"10.1016\/j.jmgm.2024.108871_bib32","doi-asserted-by":"crossref","DOI":"10.1016\/j.apsadv.2023.100522","article-title":"Prediction of water adsorption isotherm on 13X zeolite in different temperatures and investigating the effect of non-framework cations using dynamic simulation","volume":"18","author":"Moradi","year":"2023","journal-title":"Applied Surface Science Advances"},{"key":"10.1016\/j.jmgm.2024.108871_bib33","doi-asserted-by":"crossref","DOI":"10.1016\/j.fluid.2023.113928","article-title":"Perfluorinated pollutants in water: diffusion coefficient of perfluorosulfonic acids by molecular dynamics simulations","volume":"575","author":"Dami\u00e3o","year":"2023","journal-title":"Fluid Phase Equil."},{"key":"10.1016\/j.jmgm.2024.108871_bib34","doi-asserted-by":"crossref","first-page":"19","DOI":"10.1016\/j.fuel.2015.10.035","article-title":"Molecular simulation of CO2\/CH4 self-and transport diffusion coefficients in coal","volume":"165","author":"Zhao","year":"2016","journal-title":"Fuel"},{"key":"10.1016\/j.jmgm.2024.108871_bib35","series-title":"Diffusion, Viscosity, and Thermodynamics in Liquid Systems","author":"Bosse","year":"2005"},{"key":"10.1016\/j.jmgm.2024.108871_bib36","doi-asserted-by":"crossref","DOI":"10.1016\/j.fuel.2020.117443","article-title":"Molecular simulation of gas adsorption characteristics and diffusion in micropores of lignite","volume":"269","author":"Gao","year":"2020","journal-title":"Fuel"},{"key":"10.1016\/j.jmgm.2024.108871_bib37","doi-asserted-by":"crossref","first-page":"109","DOI":"10.1016\/j.fluid.2017.11.006","article-title":"Molecular dynamics simulations of liquid-liquid phase equilibrium of ternary methanol\/water\/hydrocarbon mixtures","volume":"470","author":"Wang","year":"2018","journal-title":"Fluid Phase Equil."},{"key":"10.1016\/j.jmgm.2024.108871_bib38","doi-asserted-by":"crossref","first-page":"591","DOI":"10.1016\/j.molliq.2017.10.147","article-title":"Molecular dynamics simulations to separate benzene from hydrocarbons using polar and ionic liquid solvents","volume":"249","author":"N\u00fa\u00f1ez-Rojas","year":"2018","journal-title":"J. Mol. Liq."},{"issue":"1","key":"10.1016\/j.jmgm.2024.108871_bib39","doi-asserted-by":"crossref","first-page":"57","DOI":"10.1016\/j.cep.2007.08.012","article-title":"Prediction of effective diffusivity and using of it in designing pulsed sieve plate extraction columns","volume":"47","author":"Bahmanyar","year":"2008","journal-title":"Chem. Eng. Process: Process Intensif."},{"issue":"4","key":"10.1016\/j.jmgm.2024.108871_bib40","doi-asserted-by":"crossref","first-page":"452","DOI":"10.1021\/je60071a014","article-title":"Diffusion coefficients in some ternary systems","volume":"21","author":"Bulicka","year":"1976","journal-title":"J. Chem. Eng. Data"},{"issue":"11","key":"10.1016\/j.jmgm.2024.108871_bib41","doi-asserted-by":"crossref","first-page":"3941","DOI":"10.1021\/j100895a050","article-title":"Diffusion in the three-component liquid system acetone-benzene-carbon tetrachloride","volume":"69","author":"Cullinan","year":"1965","journal-title":"J. Phys. Chem."},{"issue":"1","key":"10.1016\/j.jmgm.2024.108871_bib42","doi-asserted-by":"crossref","first-page":"77","DOI":"10.1021\/i160021a012","article-title":"Estimating liquid diffusivity","volume":"6","author":"Reddy","year":"1967","journal-title":"Ind. Eng. Chem. Fundam."},{"issue":"9","key":"10.1016\/j.jmgm.2024.108871_bib43","doi-asserted-by":"crossref","first-page":"2007","DOI":"10.1021\/ie50537a062","article-title":"Correspondence. Liquid diffusivities. Viscosity of gases","volume":"46","author":"Scheibel","year":"1954","journal-title":"Ind. Eng. Chem."},{"issue":"2","key":"10.1016\/j.jmgm.2024.108871_bib44","doi-asserted-by":"crossref","first-page":"264","DOI":"10.1002\/aic.690010222","article-title":"Correlation of diffusion coefficients in dilute solutions","volume":"1","author":"Wilke","year":"1955","journal-title":"AIChE J."},{"issue":"4","key":"10.1016\/j.jmgm.2024.108871_bib45","doi-asserted-by":"crossref","first-page":"1531","DOI":"10.1021\/acs.jced.9b00954","article-title":"Liquid\u2013liquid equilibrium study for the ternary system of Water+ acetic Acid+ 2-octanol","volume":"65","author":"Feng","year":"2020","journal-title":"J. Chem. Eng. Data"},{"issue":"5","key":"10.1016\/j.jmgm.2024.108871_bib46","doi-asserted-by":"crossref","first-page":"1611","DOI":"10.3390\/molecules27051611","article-title":"Molecular forcefield methods for describing energetic molecular crystals: a review","volume":"27","author":"Qian","year":"2022","journal-title":"Molecules"},{"issue":"3","key":"10.1016\/j.jmgm.2024.108871_bib47","doi-asserted-by":"crossref","first-page":"701","DOI":"10.1021\/ma00107a006","article-title":"Ab initio calculations and force field development for computer simulation of polysilanes","volume":"28","author":"Sun","year":"1995","journal-title":"Macromolecules"},{"issue":"1\u20133","key":"10.1016\/j.jmgm.2024.108871_bib48","doi-asserted-by":"crossref","first-page":"131","DOI":"10.1016\/0010-4655(94)90208-9","article-title":"On the use of quantum energy surfaces in the derivation of molecular force fields","volume":"84","author":"Hagler","year":"1994","journal-title":"Comput. Phys. Commun."},{"issue":"23","key":"10.1016\/j.jmgm.2024.108871_bib49","doi-asserted-by":"crossref","first-page":"8551","DOI":"10.1021\/ja00205a001","article-title":"Molecular mechanics. The MM3 force field for hydrocarbons. 1","volume":"111","author":"Allinger","year":"1989","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/j.jmgm.2024.108871_bib50","doi-asserted-by":"crossref","DOI":"10.1016\/j.applthermaleng.2020.114941","article-title":"Correlation for self-diffusion coefficients of H2, CH4, CO, O2 and CO2 in supercritical water from molecular dynamics simulation","volume":"171","author":"Zhao","year":"2020","journal-title":"Appl. Therm. Eng."},{"key":"10.1016\/j.jmgm.2024.108871_bib51","doi-asserted-by":"crossref","first-page":"70","DOI":"10.1016\/j.ces.2014.09.054","article-title":"CO2 capture in cation-exchanged metal\u2013organic frameworks: holistic modeling from molecular simulation to process optimization","volume":"124","author":"Nalaparaju","year":"2015","journal-title":"Chem. Eng. Sci."},{"key":"10.1016\/j.jmgm.2024.108871_bib52","doi-asserted-by":"crossref","first-page":"9","DOI":"10.1016\/j.fluid.2015.03.026","article-title":"Prediction of diffusion coefficients of chlorophenols in water by computer simulation","volume":"396","author":"Martins","year":"2015","journal-title":"Fluid Phase Equil."},{"issue":"2","key":"10.1016\/j.jmgm.2024.108871_bib53","doi-asserted-by":"crossref","first-page":"297","DOI":"10.1021\/je950157k","article-title":"Diffusion coefficients and viscosities of CO2+ H2O, CO2+ CH3OH, NH3+ H2O, and NH3+ CH3OH liquid mixtures","volume":"41","author":"Frank","year":"1996","journal-title":"J. Chem. Eng. Data"},{"issue":"10","key":"10.1016\/j.jmgm.2024.108871_bib54","doi-asserted-by":"crossref","first-page":"3151","DOI":"10.1021\/je500211w","article-title":"Diffusion coefficients of fluorinated surfactants in water: experimental results and prediction by computer simulation","volume":"59","author":"Pereira","year":"2014","journal-title":"J. Chem. Eng. Data"},{"issue":"16","key":"10.1016\/j.jmgm.2024.108871_bib55","doi-asserted-by":"crossref","first-page":"1781","DOI":"10.1002\/jcc.20289","article-title":"Scalable molecular dynamics with NAMD","volume":"26","author":"Phillips","year":"2005","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.jmgm.2024.108871_bib56","doi-asserted-by":"crossref","first-page":"421","DOI":"10.1016\/j.fluid.2016.06.007","article-title":"Partitioning of butanol between a hydrophobic ionic liquid and aqueous phase: insights from Liquid Liquid Equilibria measurements and Molecular Dynamics simulations","volume":"425","author":"Dehury","year":"2016","journal-title":"Fluid Phase Equil."},{"key":"10.1016\/j.jmgm.2024.108871_bib57","first-page":"52","article-title":"Liquid liquid equilibrium of water-acetic acid-2-ethylhexanol system","volume":"25","author":"Guo-hua","year":"1997","journal-title":"Chem. Eng. (China)"}],"container-title":["Journal of Molecular Graphics and Modelling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1093326324001712?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1093326324001712?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2024,10,17]],"date-time":"2024-10-17T14:05:27Z","timestamp":1729173927000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1093326324001712"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,12]]},"references-count":57,"alternative-id":["S1093326324001712"],"URL":"https:\/\/doi.org\/10.1016\/j.jmgm.2024.108871","relation":{},"ISSN":["1093-3263"],"issn-type":[{"value":"1093-3263","type":"print"}],"subject":[],"published":{"date-parts":[[2024,12]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Investigation of solvent extraction of acetic acid and acetone from water in the presence of SiO2 nanoparticles using molecular dynamics simulation","name":"articletitle","label":"Article Title"},{"value":"Journal of Molecular Graphics and Modelling","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.jmgm.2024.108871","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2024 Elsevier Inc. All rights are reserved, including those for text and data mining, AI training, and similar technologies.","name":"copyright","label":"Copyright"}],"article-number":"108871"}}