{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,29]],"date-time":"2026-09-29T01:36:04Z","timestamp":1790645764675,"version":"4.1.0"},"reference-count":50,"publisher":"American Chemical Society (ACS)","issue":"20","license":[{"start":{"date-parts":[[2020,4,29]],"date-time":"2020-04-29T00:00:00Z","timestamp":1588118400000},"content-version":"vor","delay-in-days":366,"URL":"https:\/\/pubs.acs.org\/page\/policy\/authorchoice_termsofuse.html"}],"funder":[{"DOI":"10.13039\/100010663","name":"H2020 European Research Council","doi-asserted-by":"publisher","award":["694078"],"award-info":[{"award-number":["694078"]}],"id":[{"id":"10.13039\/100010663","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2019,5,23]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>In this work, we assess the fundamental aspects of mutual miscibility of solvents by studying the mixing of two potential candidates, methanol and n-dodecane, for nonaqueous solvent extraction. To do so, 1H NMR spectroscopy and molecular dynamics simulations are used jointly. The NMR spectra show that good phase separation can be obtained by adding LiCl and that the addition of a popular extractant (tri-n-butyl phosphate) yields the opposite effect. It is also demonstrated that in a specific case the poor phase separation is not due to the migration of n-dodecane into the more polar phase, but due to the transfer of the extractant into it, which is especially relevant when considering industrial applications of solvent extraction. With the aid of molecular dynamics simulations, explanations of this behavior are given. Specifically, an increase of all hydrogen-bond lifetimes is found to be consequent to the addition of LiCl which implies an indirect influence on the methanol liquid structure, by favoring a stronger hydrogen-bond network. Therefore, we found that better phase separation is not directly due to the presence of LiCl, but due to the \u201chardening\u201d of the hydrogen-bond network.<\/jats:p>","DOI":"10.1021\/acs.jpcb.9b00839","type":"journal-article","created":{"date-parts":[[2019,4,29]],"date-time":"2019-04-29T07:33:21Z","timestamp":1556523201000},"page":"4400-4407","source":"Crossref","is-referenced-by-count":12,"title":["Tuning Solvent Miscibility: A Fundamental Assessment\non the Example of Induced Methanol\/\n                    <i>n<\/i>\n                    -Dodecane\nPhase Separation"],"prefix":"10.1021","volume":"123","author":[{"given":"Roberto","family":"Macchieraldo","sequence":"first","affiliation":[{"name":"University of Bonn , , Beringstrasse 4+6 , ,","place":["Bonn, Germany, D-53115"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sascha","family":"Gehrke","sequence":"additional","affiliation":[{"name":"University of Bonn , , Beringstrasse 4+6 , ,","place":["Bonn, Germany, D-53115"]},{"name":"Max Planck Institute for Chemical Energy Conversion , Stiftstrasse 34-36 , ,","place":["Mu\u0308lheim an der Ruhr, Germany, D-45413"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1971-6661","authenticated-orcid":true,"given":"Nagaphani K.","family":"Batchu","sequence":"additional","affiliation":[{"name":"KU Leuven , , Celestijnenlaan 200F, bus 2404 , ,","place":["Heverlee, Belgium, B-3001"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8843-7132","authenticated-orcid":true,"given":"Barbara","family":"Kirchner","sequence":"additional","affiliation":[{"name":"University of Bonn , , Beringstrasse 4+6 , ,","place":["Bonn, Germany, D-53115"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4768-3606","authenticated-orcid":true,"given":"Koen","family":"Binnemans","sequence":"additional","affiliation":[{"name":"KU Leuven , , Celestijnenlaan 200F, bus 2404 , ,","place":["Heverlee, Belgium, B-3001"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2019,4,29]]},"reference":[{"key":"2026090219104870000_cit1","volume-title":"Kirk-Othmer Encyclopedia\nof Chemical Technology","author":"Hiskey","year":"2000"},{"key":"2026090219104870000_cit2","volume-title":"Mineral Processing\nand Extractive Metallurgy: 100 years of Innovation","author":"Anderson","year":"2014"},{"key":"2026090219104870000_cit3","volume-title":"Process Principles\nin Minerals and Materials Production","author":"Hayes","year":"2003"},{"key":"2026090219104870000_cit4","doi-asserted-by":"publisher","first-page":"757","DOI":"10.1016\/j.jclepro.2016.12.048","article-title":"The circular economy\n- a new sustainability paradigm?","volume":"143","author":"Geissdoerfer","year":"2017","journal-title":"J. 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