{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,2]],"date-time":"2026-07-02T06:38:35Z","timestamp":1782974315716,"version":"3.54.5"},"reference-count":61,"publisher":"Royal Society of Chemistry (RSC)","issue":"7","license":[{"start":{"date-parts":[[2026,1,21]],"date-time":"2026-01-21T00:00:00Z","timestamp":1768953600000},"content-version":"am","delay-in-days":385,"URL":"http:\/\/rsc.li\/journals-terms-of-use"}],"funder":[{"DOI":"10.13039\/501100014830","name":"Persian Gulf University","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100014830","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Phys. Chem. Chem. Phys."],"abstract":"<jats:p>Molecular dynamics simulations were conducted on mixtures of ionic liquids (ILs) and alcohols, specifically methanol, ethanol, and 1-propanol.<\/jats:p>","DOI":"10.1039\/d4cp03215b","type":"journal-article","created":{"date-parts":[[2025,1,21]],"date-time":"2025-01-21T02:03:28Z","timestamp":1737425008000},"page":"3755-3772","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Molecular dynamics simulations of the structure and dynamics in mixtures of ionic liquids and alcohols"],"prefix":"10.1039","volume":"27","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-0000-4023","authenticated-orcid":false,"given":"Farkhondeh","family":"Mozaffari","sequence":"first","affiliation":[{"name":"Department of Chemistry, Faculty of Nano and Bio Science and Technology, Persian Gulf University, Bushehr 75168, Iran"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2025]]},"reference":[{"key":"D4CP03215B\/cit1\/1","doi-asserted-by":"crossref","first-page":"1311","DOI":"10.1021\/ci500206u","volume":"54","author":"Paduszynski","year":"2014","journal-title":"J. Chem. Inf. Model."},{"key":"D4CP03215B\/cit2\/1","doi-asserted-by":"crossref","first-page":"2376","DOI":"10.1021\/jp030582h","volume":"108","author":"Domanska","year":"2004","journal-title":"J. Phys. Chem. B"},{"key":"D4CP03215B\/cit3\/1","doi-asserted-by":"crossref","first-page":"409","DOI":"10.1080\/00319100600744993","volume":"44","author":"Gomez","year":"2006","journal-title":"Phys. Chem. Liq."},{"key":"D4CP03215B\/cit4\/1","doi-asserted-by":"crossref","first-page":"651","DOI":"10.1016\/j.jct.2005.07.020","volume":"38","author":"Pereiro","year":"2006","journal-title":"J. Chem. Thermodyn."},{"key":"D4CP03215B\/cit5\/1","doi-asserted-by":"crossref","first-page":"472","DOI":"10.1021\/je800468h","volume":"54","author":"Stoppa","year":"2009","journal-title":"J. Chem. Eng. Data"},{"key":"D4CP03215B\/cit6\/1","doi-asserted-by":"crossref","first-page":"5113","DOI":"10.1021\/jp037774x","volume":"108","author":"Crosthwaite","year":"2004","journal-title":"J. Phys. Chem. B"},{"key":"D4CP03215B\/cit7\/1","doi-asserted-by":"crossref","first-page":"83","DOI":"10.1016\/j.fluid.2009.07.010","volume":"285","author":"Rilo","year":"2009","journal-title":"Fluid Phase Equilib."},{"key":"D4CP03215B\/cit8\/1","doi-asserted-by":"crossref","first-page":"1168","DOI":"10.1016\/j.jct.2006.12.005","volume":"39","author":"Pereiro","year":"2007","journal-title":"J. Chem. Thermodyn."},{"key":"D4CP03215B\/cit9\/1","doi-asserted-by":"crossref","first-page":"148","DOI":"10.1016\/j.fluid.2010.02.034","volume":"294","author":"Feng","year":"2010","journal-title":"Fluid Phase Equilib."},{"key":"D4CP03215B\/cit10\/1","doi-asserted-by":"crossref","first-page":"6995","DOI":"10.1021\/jp202692g","volume":"115","author":"M\u00e9ndez-Morales","year":"2011","journal-title":"J. Phys. Chem. B"},{"key":"D4CP03215B\/cit11\/1","doi-asserted-by":"crossref","first-page":"214502","DOI":"10.1063\/1.4879660","volume":"140","author":"Docampo-\u00c1lvarez","year":"2014","journal-title":"J. Chem. Phys"},{"key":"D4CP03215B\/cit12\/1","doi-asserted-by":"crossref","first-page":"124503","DOI":"10.1063\/1.4978943","volume":"146","author":"Montes-Campos","year":"2017","journal-title":"J. Chem. Phys."},{"key":"D4CP03215B\/cit13\/1","doi-asserted-by":"crossref","first-page":"2159","DOI":"10.1021\/sc5003424","volume":"2","author":"Nanayakkara","year":"2014","journal-title":"ACS Sustainable Chem. Eng."},{"key":"D4CP03215B\/cit14\/1","doi-asserted-by":"crossref","first-page":"77","DOI":"10.1016\/j.rser.2013.06.033","volume":"27","author":"Mood","year":"2013","journal-title":"Renewable Sustainable Energy Rev."},{"key":"D4CP03215B\/cit15\/1","doi-asserted-by":"crossref","first-page":"404","DOI":"10.1016\/j.biortech.2014.01.077","volume":"156","author":"Weerachanchai","year":"2014","journal-title":"Bioresour. Technol."},{"key":"D4CP03215B\/cit16\/1","doi-asserted-by":"crossref","first-page":"122","DOI":"10.1016\/j.jiec.2017.01.018","volume":"49","author":"Weerachanchai","year":"2017","journal-title":"J. Ind. Eng. Chem."},{"key":"D4CP03215B\/cit17\/1","doi-asserted-by":"crossref","first-page":"268","DOI":"10.1016\/j.rser.2019.01.052","volume":"105","author":"Halder","year":"2019","journal-title":"Renewable Sustainable Energy Rev."},{"key":"D4CP03215B\/cit18\/1","doi-asserted-by":"crossref","first-page":"1362","DOI":"10.1021\/acssuschemeng.9b04443","volume":"8","author":"Rigual","year":"2020","journal-title":"ACS Sustainable Chem. Eng."},{"key":"D4CP03215B\/cit19\/1","doi-asserted-by":"crossref","first-page":"560","DOI":"10.1016\/j.biortech.2018.07.070","volume":"267","author":"Nargotra","year":"2018","journal-title":"Bioresour. Technol."},{"key":"D4CP03215B\/cit20\/1","doi-asserted-by":"crossref","first-page":"2376","DOI":"10.1021\/jp030582h","volume":"108","author":"Domanska","year":"2004","journal-title":"J. Phys. Chem. B"},{"key":"D4CP03215B\/cit21\/1","doi-asserted-by":"crossref","first-page":"9830","DOI":"10.1039\/c003386c","volume":"12","author":"Gao","year":"2010","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D4CP03215B\/cit22\/1","doi-asserted-by":"crossref","first-page":"651","DOI":"10.1016\/j.jct.2005.07.020","volume":"38","author":"Pereiro","year":"2006","journal-title":"J. Chem. Thermodyn."},{"key":"D4CP03215B\/cit23\/1","doi-asserted-by":"crossref","first-page":"472","DOI":"10.1021\/je800468h","volume":"54","author":"Stoppa","year":"2009","journal-title":"J. Chem. Eng. Data"},{"key":"D4CP03215B\/cit24\/1","doi-asserted-by":"crossref","first-page":"107","DOI":"10.1039\/b109179b","volume":"4","author":"Hanke","year":"2002","journal-title":"Green Chem."},{"key":"D4CP03215B\/cit25\/1","doi-asserted-by":"crossref","first-page":"144503","DOI":"10.1063\/1.2990653","volume":"129","author":"Raabe","year":"2008","journal-title":"J. Chem. Phys"},{"key":"D4CP03215B\/cit26\/1","doi-asserted-by":"crossref","first-page":"1015","DOI":"10.1080\/00268970802068495","volume":"8","author":"Jahangiri","year":"2008","journal-title":"Mol. Phys."},{"key":"D4CP03215B\/cit27\/1","doi-asserted-by":"crossref","first-page":"3268","DOI":"10.1039\/c0cp00442a","volume":"13","author":"Heintz","year":"2011","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D4CP03215B\/cit28\/1","doi-asserted-by":"crossref","first-page":"11170","DOI":"10.1021\/jp206341z","volume":"115","author":"M\u00e9ndez-Morales","year":"2011","journal-title":"J. Phys. Chem. B"},{"key":"D4CP03215B\/cit29\/1","doi-asserted-by":"crossref","first-page":"204514","DOI":"10.1063\/1.5008439","volume":"148","author":"Sharma","year":"2018","journal-title":"J. Chem. Phys."},{"key":"D4CP03215B\/cit30\/1","doi-asserted-by":"crossref","first-page":"214501","DOI":"10.1063\/5.0031989","volume":"153","author":"Zhao","year":"2020","journal-title":"J. Chem. Phys."},{"key":"D4CP03215B\/cit31\/1","doi-asserted-by":"crossref","first-page":"111538","DOI":"10.1016\/j.molliq.2019.111538","volume":"294","author":"Figueiredo","year":"2019","journal-title":"J. Mol. Liq."},{"key":"D4CP03215B\/cit32\/1","doi-asserted-by":"crossref","first-page":"118955","DOI":"10.1016\/j.molliq.2022.118955","volume":"355","author":"Otero-Mato","year":"2022","journal-title":"J. Mol. Liq."},{"key":"D4CP03215B\/cit33\/1","doi-asserted-by":"crossref","first-page":"3684","DOI":"10.1063\/1.448118","volume":"81","author":"Berendsen","year":"1984","journal-title":"J. Chem. Phys."},{"key":"D4CP03215B\/cit34\/1","doi-asserted-by":"crossref","first-page":"124902","DOI":"10.1063\/1.4821585","volume":"139","author":"Eslami","year":"2013","journal-title":"J. Chem. Phys."},{"key":"D4CP03215B\/cit35\/1","doi-asserted-by":"crossref","first-page":"10374","DOI":"10.1021\/acs.jpcb.0c08296","volume":"124","author":"Eslami","year":"2020","journal-title":"J. Phys. Chem. B"},{"key":"D4CP03215B\/cit36\/1","doi-asserted-by":"crossref","first-page":"327","DOI":"10.1016\/0021-9991(77)90098-5","volume":"23","author":"Ryckaert","year":"1977","journal-title":"J. Comput. Phys."},{"key":"D4CP03215B\/cit37\/1","doi-asserted-by":"crossref","first-page":"77","DOI":"10.1016\/0010-4655(93)90144-2","volume":"78","author":"M\u00fcller-Plathe","year":"1993","journal-title":"Comput. Phys. Commun."},{"key":"D4CP03215B\/cit38\/1","volume-title":"Computer Simulation of Liquids","author":"Allen","year":"1987","unstructured":"M. P.Allen  and  D. J.Tildesley ,  Computer Simulation of Liquids ,  Clarendon Press ,  Oxford ,  1987"},{"key":"D4CP03215B\/cit39\/1","doi-asserted-by":"crossref","first-page":"115803","DOI":"10.1016\/j.molliq.2021.115803","volume":"331","author":"Basouli","year":"2021","journal-title":"J. Mol. Liq."},{"key":"D4CP03215B\/cit40\/1","doi-asserted-by":"crossref","first-page":"113912","DOI":"10.1016\/j.fluid.2023.113912","volume":"574","author":"Mozaffari","year":"2023","journal-title":"Fluid Phase Equilib."},{"key":"D4CP03215B\/cit41\/1","doi-asserted-by":"crossref","first-page":"7699","DOI":"10.1021\/acs.jpcb.7b06039","volume":"121","author":"Afandak","year":"2017","journal-title":"J. Phys. Chem. B"},{"key":"D4CP03215B\/cit42\/1","doi-asserted-by":"crossref","first-page":"3093","DOI":"10.1021\/jp003882x","volume":"105","author":"Chen","year":"2001","journal-title":"J. Phys. Chem. B"},{"key":"D4CP03215B\/cit43\/1","doi-asserted-by":"crossref","first-page":"238","DOI":"10.1016\/j.jct.2012.08.030","volume":"57","author":"Singh","year":"2013","journal-title":"J. Chem. Thermodyn."},{"key":"D4CP03215B\/cit44\/1","doi-asserted-by":"crossref","first-page":"1298","DOI":"10.1021\/je700754k","volume":"53","author":"Iglesias-Otero","year":"2008","journal-title":"J. Chem. Eng. Data"},{"key":"D4CP03215B\/cit45\/1","doi-asserted-by":"crossref","first-page":"978","DOI":"10.1016\/j.jct.2006.10.017","volume":"39","author":"Pereiro","year":"2007","journal-title":"J. Chem. Thermodyn."},{"key":"D4CP03215B\/cit46\/1","doi-asserted-by":"crossref","first-page":"55","DOI":"10.1038\/379055a0","volume":"379","author":"Luzar","year":"1996","journal-title":"Nature"},{"key":"D4CP03215B\/cit47\/1","doi-asserted-by":"crossref","first-page":"9720","DOI":"10.1021\/jp204423z","volume":"115","author":"Eslami","year":"2011","journal-title":"J. Phys. Chem. B"},{"key":"D4CP03215B\/cit48\/1","doi-asserted-by":"crossref","first-page":"3713","DOI":"10.1021\/acs.jpclett.5b01513","volume":"6","author":"Sha","year":"2015","journal-title":"J. Phys. Chem. Lett."},{"key":"D4CP03215B\/cit49\/1","doi-asserted-by":"crossref","first-page":"2306337","DOI":"10.1002\/smll.202306337","volume":"20","author":"Eslami","year":"2024","journal-title":"Small"},{"key":"D4CP03215B\/cit50\/1","doi-asserted-by":"crossref","first-page":"18045","DOI":"10.1021\/acsanm.4c03858","volume":"7","author":"Eslami","year":"2024","journal-title":"ACS Appl. Nano Mater."},{"key":"D4CP03215B\/cit51\/1","doi-asserted-by":"crossref","first-page":"15825","DOI":"10.1021\/ja906337p","volume":"131","author":"Zhao","year":"2009","journal-title":"J. Am. Chem. Soc."},{"key":"D4CP03215B\/cit52\/1","doi-asserted-by":"crossref","first-page":"257","DOI":"10.1021\/acsbiomaterials.2c01022","volume":"9","author":"Eslami","year":"2023","journal-title":"ACS Biomater. Sci. Eng."},{"key":"D4CP03215B\/cit53\/1","doi-asserted-by":"crossref","first-page":"14899","DOI":"10.1039\/C8CP01541D","volume":"20","author":"Voroshylova","year":"2018","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D4CP03215B\/cit54\/1","doi-asserted-by":"crossref","first-page":"2833","DOI":"10.1021\/jp053396f","volume":"110","author":"Tokuda","year":"2006","journal-title":"J. Phys. Chem. B"},{"key":"D4CP03215B\/cit55\/1","doi-asserted-by":"crossref","first-page":"1747","DOI":"10.1021\/je400841s","volume":"59","author":"Mbondo Tsamba","year":"2014","journal-title":"J. Chem. Eng. Data"},{"key":"D4CP03215B\/cit56\/1","doi-asserted-by":"crossref","first-page":"332","DOI":"10.1016\/j.cplett.2005.02.109","volume":"406","author":"Lee","year":"2005","journal-title":"Chem. Phys. Lett."},{"key":"D4CP03215B\/cit57\/1","doi-asserted-by":"crossref","first-page":"62","DOI":"10.1016\/j.fluid.2006.09.027","volume":"256","author":"Rey-Castro","year":"2007","journal-title":"Fluid Phase Equilib."},{"key":"D4CP03215B\/cit58\/1","doi-asserted-by":"crossref","first-page":"14426","DOI":"10.1021\/jp062885s","volume":"110","author":"Rey-Castro","year":"2006","journal-title":"J. Phys. Chem. B"},{"key":"D4CP03215B\/cit59\/1","doi-asserted-by":"crossref","first-page":"1340","DOI":"10.1021\/acs.jpcb.8b11527","volume":"123","author":"Thompson","year":"2019","journal-title":"J. Phys. Chem. B"},{"key":"D4CP03215B\/cit60\/1","doi-asserted-by":"crossref","first-page":"56","DOI":"10.1021\/acs.jced.5b00181","volume":"61","author":"Salinas","year":"2016","journal-title":"J. Chem. Eng. Data"},{"key":"D4CP03215B\/cit61\/1","doi-asserted-by":"crossref","first-page":"2219","DOI":"10.1002\/adma.201304137","volume":"26","author":"Beguin","year":"2014","journal-title":"Adv. Mater."}],"container-title":["Physical Chemistry Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2025\/CP\/D4CP03215B","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,2]],"date-time":"2026-07-02T05:13:11Z","timestamp":1782969191000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.rsc.org\/cp\/article\/27\/7\/3755-3772\/843892"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025]]},"references-count":61,"journal-issue":{"issue":"7","published-print":{"date-parts":[[2025,2,12]]}},"URL":"https:\/\/doi.org\/10.1039\/d4cp03215b","relation":{},"ISSN":["1463-9076","1463-9084"],"issn-type":[{"value":"1463-9076","type":"print"},{"value":"1463-9084","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025]]}}}