{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,26]],"date-time":"2026-03-26T18:13:22Z","timestamp":1774548802706,"version":"3.50.1"},"reference-count":103,"publisher":"American Chemical Society (ACS)","issue":"10","license":[{"start":{"date-parts":[[2023,12,12]],"date-time":"2023-12-12T00:00:00Z","timestamp":1702339200000},"content-version":"unspecified","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by-nc-nd\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100008530","name":"European Regional Development Fund","doi-asserted-by":"publisher","award":["NORTE-01-0145-FEDER-000054"],"award-info":[{"award-number":["NORTE-01-0145-FEDER-000054"]}],"id":[{"id":"10.13039\/501100008530","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001871","name":"Funda??o para a Ci?ncia e a Tecnologia","doi-asserted-by":"publisher","award":["2021.06626.BD"],"award-info":[{"award-number":["2021.06626.BD"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001871","name":"Funda??o para a Ci?ncia e a Tecnologia","doi-asserted-by":"publisher","award":["LA\/P\/0045\/2020"],"award-info":[{"award-number":["LA\/P\/0045\/2020"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001871","name":"Funda??o para a Ci?ncia e a Tecnologia","doi-asserted-by":"publisher","award":["UIDB\/50020\/2020"],"award-info":[{"award-number":["UIDB\/50020\/2020"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001871","name":"Funda??o para a Ci?ncia e a Tecnologia","doi-asserted-by":"publisher","award":["UIDP\/50020\/2020"],"award-info":[{"award-number":["UIDP\/50020\/2020"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Eng. Data"],"published-print":{"date-parts":[[2024,10,10]]},"DOI":"10.1021\/acs.jced.3c00532","type":"journal-article","created":{"date-parts":[[2023,12,12]],"date-time":"2023-12-12T13:22:29Z","timestamp":1702387349000},"page":"3573-3583","source":"Crossref","is-referenced-by-count":17,"title":["A Geometric Approach for the Calculation of the Nonrandomness Factor Using Computational Chemistry"],"prefix":"10.1021","volume":"69","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-4802-7301","authenticated-orcid":true,"given":"Pedro","family":"Velho","sequence":"first","affiliation":[{"name":"LSRE-LCM\u2212Laboratory of Separation and Reaction Engineering\u2212Laboratory of Catalysis and Materials, Faculty of Engineering, University of Porto, Rua Dr. Roberto Frias, 4200-465 Porto, Portugal"},{"name":"ALiCE\u2212Associate Laboratory in Chemical Engineering, Faculty of Engineering, University of Porto, Rua Dr. Roberto Frias, 4200-465 Porto, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0613-4208","authenticated-orcid":true,"given":"Leonor R.","family":"Barroca","sequence":"additional","affiliation":[{"name":"LSRE-LCM\u2212Laboratory of Separation and Reaction Engineering\u2212Laboratory of Catalysis and Materials, Faculty of Engineering, University of Porto, Rua Dr. Roberto Frias, 4200-465 Porto, Portugal"},{"name":"ALiCE\u2212Associate Laboratory in Chemical Engineering, Faculty of Engineering, University of Porto, Rua Dr. Roberto Frias, 4200-465 Porto, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0724-5380","authenticated-orcid":true,"given":"Eug\u00e9nia A.","family":"Macedo","sequence":"additional","affiliation":[{"name":"LSRE-LCM\u2212Laboratory of Separation and Reaction Engineering\u2212Laboratory of Catalysis and Materials, Faculty of Engineering, University of Porto, Rua Dr. Roberto Frias, 4200-465 Porto, Portugal"},{"name":"ALiCE\u2212Associate Laboratory in Chemical Engineering, Faculty of Engineering, University of Porto, Rua Dr. Roberto Frias, 4200-465 Porto, Portugal"}]}],"member":"316","published-online":{"date-parts":[[2023,12,12]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1002\/aic.690140124"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1142\/9781848161054_0007"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1002\/9780470747537"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jced.6b00829"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1021\/ie070956j"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1021\/acs.iecr.0c00141"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jced.8b00680"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1021\/acs.iecr.3c00576"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1021\/acs.iecr.6b04525"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jced.1c00915"},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"53","DOI":"10.1007\/978-3-319-14812-0_2","volume-title":"Process Analysis and Simulation in Chemical Engineering","author":"Chaves I. D. G.","year":"2016"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1016\/j.fluid.2015.10.009"},{"key":"ref13\/cit13","volume-title":"Molecular Thermodynamics of Fluid-Phase Equilibria","author":"Prausnitz J. M.","year":"1999"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1002\/aic.690210115"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jced.8b00308"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1016\/j.fluid.2005.01.002"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1016\/j.fluid.2011.11.025"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1016\/j.fluid.2020.112617"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1016\/j.seppur.2021.119155"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/acs.iecr.0c02664"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jced.3c00185"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1002\/9780470747537.ch5"},{"key":"ref23\/cit23","volume-title":"Mixtures: The theory of the equilibrium properties of some simple classes of mixtures solutions and alloys","author":"Guggenheim E. A.","year":"1952"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/ja01056a002"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/jp960669l"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1063\/1.4704546"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.9b01831"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1039\/C5CP06027C"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.9b01799"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemmater.5b00446"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.7b02414"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1021\/jp034376l"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1021\/ie960762w"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1021\/ie50320a013"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1021\/je800446c"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/je500939v"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1021\/je049799a"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1021\/je990331v"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jced.2c00530"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1016\/0378-3812(95)02728-W"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1021\/je0100185"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1063\/1.464913"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.37.785"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1016\/0301-0104(81)85090-2"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1016\/0301-0104(82)85072-6"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540151009"},{"key":"ref47\/cit47","volume-title":"Gaussian 09, Revision D.01","author":"Frisch M. J.","year":"2016"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1063\/1.444267"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1080\/00319100008030316"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1007\/BF00647680"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1016\/j.molliq.2009.04.002"},{"key":"ref52\/cit52","doi-asserted-by":"crossref","DOI":"10.6028\/NBS.CIRC.514","author":"Maryott A. A.","year":"1951","journal-title":"National Bureau of Standards, Circular 514. US Government Printing Office"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1021\/ja01389a038"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1016\/j.tca.2012.04.002"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1007\/s10953-014-0229-5"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1021\/je980219h"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1021\/je00029a024"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1016\/j.jct.2010.03.011"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1016\/j.tca.2012.01.013"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1080\/0031910031000120603"},{"key":"ref61\/cit61","volume-title":"The Yaws Handbook of Physical Properties for Hydrocarbons and Chemicals","author":"Yaws C. L.","year":"2015"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1016\/j.fluid.2018.02.008"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1016\/j.jct.2010.11.009"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1021\/je200682t"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1016\/j.molliq.2009.08.009"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1002\/bbpc.19971010212"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1021\/je00029a023"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1016\/j.tca.2012.05.036"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1016\/j.jct.2008.09.006"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jced.0c00845"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2008.01.068"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1021\/je200111a"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1016\/j.fluid.2008.01.024"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1016\/j.jct.2012.06.031"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1021\/je60025a004"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1006\/jcht.1996.0124"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1002\/kin.10187"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1006\/jcht.1999.0506"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1016\/S0167-7322(02)00018-1"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1016\/0301-0104(90)89109-4"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1021\/je00056a008"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1021\/je060339m"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1023\/A:1023963502038"},{"key":"ref84\/cit84","doi-asserted-by":"publisher","DOI":"10.1016\/j.jct.2015.03.001"},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1016\/0021-9614(89)90115-8"},{"key":"ref86\/cit86","doi-asserted-by":"publisher","DOI":"10.1021\/je010323q"},{"key":"ref87\/cit87","volume-title":"Analytical Separation Science","author":"Anderson J.","year":"2015"},{"key":"ref88\/cit88","doi-asserted-by":"publisher","DOI":"10.1021\/je201010s"},{"key":"ref89\/cit89","doi-asserted-by":"publisher","DOI":"10.1246\/bcsj.39.720"},{"key":"ref90\/cit90","doi-asserted-by":"publisher","DOI":"10.1021\/je9005618"},{"key":"ref91\/cit91","doi-asserted-by":"publisher","DOI":"10.1002\/bbpc.19860901212"},{"key":"ref92\/cit92","doi-asserted-by":"publisher","DOI":"10.1021\/je900597n"},{"key":"ref93\/cit93","volume-title":"Static Dielectric Constants of Pure Liquids and Binary Liquid Mixtures: Supplement to IV\/6","author":"Lechner M. D.","year":"2008"},{"key":"ref94\/cit94","doi-asserted-by":"publisher","DOI":"10.1016\/0021-9614(88)90161-9"},{"key":"ref95\/cit95","doi-asserted-by":"publisher","DOI":"10.1016\/j.tca.2012.10.004"},{"key":"ref96\/cit96","doi-asserted-by":"publisher","DOI":"10.1021\/je00044a004"},{"key":"ref97\/cit97","doi-asserted-by":"publisher","DOI":"10.1021\/je00042a031"},{"key":"ref98\/cit98","doi-asserted-by":"publisher","DOI":"10.1021\/j100828a035"},{"key":"ref99\/cit99","doi-asserted-by":"publisher","DOI":"10.1364\/AO.12.000555"},{"key":"ref100\/cit100","doi-asserted-by":"publisher","DOI":"10.1088\/0026-1394\/38\/4\/3"},{"key":"ref101\/cit101","doi-asserted-by":"publisher","DOI":"10.1017\/CBO9780511614569"},{"key":"ref102\/cit102","doi-asserted-by":"publisher","DOI":"10.1021\/j100785a001"},{"key":"ref103\/cit103","doi-asserted-by":"publisher","DOI":"10.1016\/j.fluid.2021.113045"}],"container-title":["Journal of Chemical & Engineering Data"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jced.3c00532","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jced.3c00532","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,10,10]],"date-time":"2024-10-10T13:45:05Z","timestamp":1728567905000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jced.3c00532"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,12,12]]},"references-count":103,"journal-issue":{"issue":"10","published-print":{"date-parts":[[2024,10,10]]}},"alternative-id":["10.1021\/acs.jced.3c00532"],"URL":"https:\/\/doi.org\/10.1021\/acs.jced.3c00532","relation":{},"ISSN":["0021-9568","1520-5134"],"issn-type":[{"value":"0021-9568","type":"print"},{"value":"1520-5134","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023,12,12]]}}}