{"id":"https://openalex.org/W7225642883","doi":"https://doi.org/10.1515/cppm-2026-0257","title":"Machine-learning-driven prediction of the density of waste-cooking-oil-biodiesel/1-butanol blends up to 140 MPa: a rigorously optimized artificial neural network compared with Tammann\u2013Tait and PC-SAFT models","display_name":"Machine-learning-driven prediction of the density of waste-cooking-oil-biodiesel/1-butanol blends up to 140 MPa: a rigorously optimized artificial neural network compared with Tammann\u2013Tait and PC-SAFT models","publication_year":2026,"publication_date":"2026-11-09","ids":{"openalex":"https://openalex.org/W7225642883","doi":"https://doi.org/10.1515/cppm-2026-0257"},"language":"en","primary_location":{"id":"doi:10.1515/cppm-2026-0257","doi":"https://doi.org/10.1515/cppm-2026-0257","is_oa":true,"landing_page_url":"https://doi.org/10.1515/cppm-2026-0257","pdf_url":null,"source":{"id":"https://openalex.org/S56901069","display_name":"Chemical Product and Process Modeling","issn_l":"1934-2659","issn":["1934-2659","2194-6159"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-d","jufo-1","norway-1","poland-70","russia-white-list-3"],"host_organization":"https://openalex.org/P4310313990","host_organization_name":"De Gruyter","host_organization_lineage":["https://openalex.org/P4310313990"],"host_organization_lineage_names":["De Gruyter"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chemical Product and Process Modeling","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://doi.org/10.1515/cppm-2026-0257","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5079183926","display_name":"Rachid Aitbelale","orcid":"https://orcid.org/0000-0002-8813-8367","observed_orcids":["https://orcid.org/0000-0002-8813-8367"]},"institutions":[{"id":"https://openalex.org/I4210125507","display_name":"Chouaib Doukkali University","ror":"https://ror.org/036kgyt43","country_code":"MA","type":"education","lineage":["https://openalex.org/I4210125507"]}],"countries":["MA"],"is_corresponding":false,"raw_author_name":"Rachid Aitbelale","raw_affiliation_strings":["Department of Chemistry , Laboratory of Catalysis and Corrosion of Materials, Faculty of Sciences, University of Choua\u00efb Doukkali , Route Ben Ma\u00e2chou, 24000 El Jadida , Morocco"],"raw_orcid":"https://orcid.org/0000-0002-8813-8367","affiliations":[{"raw_affiliation_string":"Department of Chemistry , Laboratory of Catalysis and Corrosion of Materials, Faculty of Sciences, University of Choua\u00efb Doukkali , Route Ben Ma\u00e2chou, 24000 El Jadida , Morocco","institution_ids":["https://openalex.org/I4210125507"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5152352477","display_name":"Saad Hassouna","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I99297268","display_name":"University of Hassan II Casablanca","ror":"https://ror.org/001q4kn48","country_code":"MA","type":"education","lineage":["https://openalex.org/I99297268"]}],"countries":["MA"],"is_corresponding":false,"raw_author_name":"Saad Hassouna","raw_affiliation_strings":["LISIME Laboratory, National Higher School of Arts and Crafts (ENSAM Casablanca), Hassan II University of Casablanca , 20670 Casablanca , Morocco"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"LISIME Laboratory, National Higher School of Arts and Crafts (ENSAM Casablanca), Hassan II University of Casablanca , 20670 Casablanca , Morocco","institution_ids":["https://openalex.org/I99297268"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5038703088","display_name":"Abdelaziz Timesli","orcid":"https://orcid.org/0000-0001-8226-4293","observed_orcids":["https://orcid.org/0000-0001-8226-4293"]},"institutions":[{"id":"https://openalex.org/I99297268","display_name":"University of Hassan II Casablanca","ror":"https://ror.org/001q4kn48","country_code":"MA","type":"education","lineage":["https://openalex.org/I99297268"]}],"countries":["MA"],"is_corresponding":false,"raw_author_name":"Abdelaziz Timesli","raw_affiliation_strings":["LISIME Laboratory, National Higher School of Arts and Crafts (ENSAM Casablanca), Hassan II University of Casablanca , 20670 Casablanca , Morocco"],"raw_orcid":"https://orcid.org/0000-0001-8226-4293","affiliations":[{"raw_affiliation_string":"LISIME Laboratory, National Higher School of Arts and Crafts (ENSAM Casablanca), Hassan II University of Casablanca , 20670 Casablanca , Morocco","institution_ids":["https://openalex.org/I99297268"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":2400,"currency":"EUR","value_usd":2712},"apc_paid":{"value":2400,"currency":"EUR","value_usd":2712},"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.0,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10507","display_name":"Biodiesel Production and Applications","score":0.9814000129699707,"subfield":{"id":"https://openalex.org/subfields/2103","display_name":"Fuel Technology"},"field":{"id":"https://openalex.org/fields/21","display_name":"Energy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10507","display_name":"Biodiesel Production and Applications","score":0.9814000129699707,"subfield":{"id":"https://openalex.org/subfields/2103","display_name":"Fuel Technology"},"field":{"id":"https://openalex.org/fields/21","display_name":"Energy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10402","display_name":"Phase Equilibria and Thermodynamics","score":0.008299999870359898,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10962","display_name":"Thermodynamic properties of mixtures","score":0.0012000000569969416,"subfield":{"id":"https://openalex.org/subfields/1507","display_name":"Fluid Flow and Transfer Processes"},"field":{"id":"https://openalex.org/fields/15","display_name":"Chemical Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/waste-cooking-oil-biodiesel","display_name":"waste cooking oil biodiesel","score":0.9660000205039978},{"id":"https://openalex.org/keywords/n-butanol","display_name":"n-butanol","score":0.9259999990463257},{"id":"https://openalex.org/keywords/density-forecasting","display_name":"density prediction","score":0.7599999904632568},{"id":"https://openalex.org/keywords/high-pressure-density","display_name":"high-pressure density","score":0.7120000123977661},{"id":"https://openalex.org/keywords/neural-network","display_name":"artificial neural networks","score":0.9229999780654907},{"id":"https://openalex.org/keywords/pc-saft","display_name":"PC-SAFT","score":0.9760000109672546},{"id":"https://openalex.org/keywords/hyperparameter-optimization","display_name":"hyperparameter optimization","score":0.7049999833106995},{"id":"https://openalex.org/keywords/fuel-injection-system","display_name":"fuel injection system","score":0.5690000057220459},{"id":"https://openalex.org/keywords/binary-mixtures","display_name":"binary mixtures","score":0.37599998712539673}],"concepts":[{"id":"https://openalex.org/C81388566","wikidata":"https://www.wikidata.org/wiki/Q526668","display_name":"Sigmoid function","level":3,"score":0.7372999787330627},{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.7369999885559082},{"id":"https://openalex.org/C8642999","wikidata":"https://www.wikidata.org/wiki/Q4171168","display_name":"Hyperparameter","level":2,"score":0.590399980545044},{"id":"https://openalex.org/C116628846","wikidata":"https://www.wikidata.org/wiki/Q899138","display_name":"Mass fraction","level":2,"score":0.5321000218391418},{"id":"https://openalex.org/C139945424","wikidata":"https://www.wikidata.org/wiki/Q1940696","display_name":"Mean squared error","level":2,"score":0.487199991941452},{"id":"https://openalex.org/C149629883","wikidata":"https://www.wikidata.org/wiki/Q660926","display_name":"Fraction (chemistry)","level":2,"score":0.44429999589920044},{"id":"https://openalex.org/C22679943","wikidata":"https://www.wikidata.org/wiki/Q159375","display_name":"Standard deviation","level":2,"score":0.4307999908924103},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.4284999966621399},{"id":"https://openalex.org/C18762648","wikidata":"https://www.wikidata.org/wiki/Q42213","display_name":"Work (physics)","level":2,"score":0.4268999993801117},{"id":"https://openalex.org/C48372109","wikidata":"https://www.wikidata.org/wiki/Q3913","display_name":"Binary number","level":2,"score":0.4242999851703644},{"id":"https://openalex.org/C128990827","wikidata":"https://www.wikidata.org/wiki/Q192830","display_name":"Coefficient of determination","level":2,"score":0.3978999853134155},{"id":"https://openalex.org/C21080849","wikidata":"https://www.wikidata.org/wiki/Q13611879","display_name":"Data point","level":2,"score":0.39579999446868896},{"id":"https://openalex.org/C28826006","wikidata":"https://www.wikidata.org/wiki/Q33521","display_name":"Applied mathematics","level":1,"score":0.37869998812675476},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.36820000410079956},{"id":"https://openalex.org/C98045186","wikidata":"https://www.wikidata.org/wiki/Q205663","display_name":"Process (computing)","level":2,"score":0.35420000553131104},{"id":"https://openalex.org/C120934525","wikidata":"https://www.wikidata.org/wiki/Q849149","display_name":"Absolute deviation","level":2,"score":0.3531999886035919},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.34470000863075256},{"id":"https://openalex.org/C166921843","wikidata":"https://www.wikidata.org/wiki/Q3776487","display_name":"Statistical parameter","level":2,"score":0.32120001316070557},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.32109999656677246},{"id":"https://openalex.org/C16910744","wikidata":"https://www.wikidata.org/wiki/Q7705759","display_name":"Test data","level":2,"score":0.3068000078201294},{"id":"https://openalex.org/C56672385","wikidata":"https://www.wikidata.org/wiki/Q17157111","display_name":"Mixture distribution","level":3,"score":0.2971000075340271},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.29010000824928284},{"id":"https://openalex.org/C127172972","wikidata":"https://www.wikidata.org/wiki/Q128709","display_name":"Viscosity","level":2,"score":0.2863999903202057},{"id":"https://openalex.org/C122383733","wikidata":"https://www.wikidata.org/wiki/Q865920","display_name":"Approximation error","level":2,"score":0.2856000065803528},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.2851000130176544},{"id":"https://openalex.org/C55037315","wikidata":"https://www.wikidata.org/wiki/Q5421151","display_name":"Experimental data","level":2,"score":0.2824000120162964},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.27709999680519104},{"id":"https://openalex.org/C153180895","wikidata":"https://www.wikidata.org/wiki/Q7148389","display_name":"Pattern recognition (psychology)","level":2,"score":0.2759999930858612},{"id":"https://openalex.org/C114289077","wikidata":"https://www.wikidata.org/wiki/Q3284399","display_name":"Statistical model","level":2,"score":0.2705000042915344},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.26989999413490295}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1515/cppm-2026-0257","doi":"https://doi.org/10.1515/cppm-2026-0257","is_oa":true,"landing_page_url":"https://doi.org/10.1515/cppm-2026-0257","pdf_url":null,"source":{"id":"https://openalex.org/S56901069","display_name":"Chemical Product and Process Modeling","issn_l":"1934-2659","issn":["1934-2659","2194-6159"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-d","jufo-1","norway-1","poland-70","russia-white-list-3"],"host_organization":"https://openalex.org/P4310313990","host_organization_name":"De Gruyter","host_organization_lineage":["https://openalex.org/P4310313990"],"host_organization_lineage_names":["De Gruyter"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chemical Product and Process Modeling","raw_type":"journal-article"}],"best_oa_location":{"id":"doi:10.1515/cppm-2026-0257","doi":"https://doi.org/10.1515/cppm-2026-0257","is_oa":true,"landing_page_url":"https://doi.org/10.1515/cppm-2026-0257","pdf_url":null,"source":{"id":"https://openalex.org/S56901069","display_name":"Chemical Product and Process Modeling","issn_l":"1934-2659","issn":["1934-2659","2194-6159"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-d","jufo-1","norway-1","poland-70","russia-white-list-3"],"host_organization":"https://openalex.org/P4310313990","host_organization_name":"De Gruyter","host_organization_lineage":["https://openalex.org/P4310313990"],"host_organization_lineage_names":["De Gruyter"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chemical Product and Process Modeling","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":29,"referenced_works":["https://openalex.org/W6908809","https://openalex.org/W1601471807","https://openalex.org/W1986794594","https://openalex.org/W1990536516","https://openalex.org/W2013132730","https://openalex.org/W2028119535","https://openalex.org/W2037351876","https://openalex.org/W2047150613","https://openalex.org/W2057084241","https://openalex.org/W2064319190","https://openalex.org/W2085237940","https://openalex.org/W2089049624","https://openalex.org/W2103496339","https://openalex.org/W2171093328","https://openalex.org/W2271840356","https://openalex.org/W2601499058","https://openalex.org/W2889323622","https://openalex.org/W2908510526","https://openalex.org/W2942636472","https://openalex.org/W2948962207","https://openalex.org/W2964121744","https://openalex.org/W2971707706","https://openalex.org/W2998798395","https://openalex.org/W3095721466","https://openalex.org/W3116794653","https://openalex.org/W3186221332","https://openalex.org/W4238404964","https://openalex.org/W4239998140","https://openalex.org/W4360852823"],"related_works":["https://openalex.org/W4412723279","https://openalex.org/W3095721466","https://openalex.org/W3039964243","https://openalex.org/W2223225371","https://openalex.org/W7104474434","https://openalex.org/W2942636472","https://openalex.org/W3186221332","https://openalex.org/W7083304914","https://openalex.org/W2911793298","https://openalex.org/W7167163588"],"abstract_inverted_index":{"Abstract":[0],"Accurate":[1],"density":[2,102,286,314],"data":[3,103,218],"of":[4,18,37,115,159,224,234,288,312,342],"biodiesel/alcohol":[5],"blends":[6],"over":[7,156,246],"wide":[8],"temperature":[9],"and":[10,21,24,53,87,130,138,146,166,169,179,193,231,277,350],"pressure":[11,49,145],"ranges":[12],"are":[13],"needed":[14,28],"for":[15,105,135,327,336],"the":[16,35,73,83,89,157,202,217,279,284,289,306,313,324,339,361,371],"design":[17],"fuel-injection":[19],"systems":[20],"process":[22],"equipment,":[23],"a":[25,66,76,97,153,172,188,220,232,309,357],"model":[26,136,281],"is":[27,75,263,278,308,334,341,348],"to":[29,70,121,127,187,201],"represent":[30],"them.":[31],"In":[32],"this":[33],"work":[34],"densities":[36],"waste":[38],"cooking":[39],"oil":[40],"biodiesel":[41],"(WCOB)":[42],"+":[43,108],"1-butanol":[44,110],"blends,":[45],"measured":[46,372],"at":[47],"high":[48],"in":[50],"our":[51],"laboratory":[52],"reported":[54],"previously,":[55],"were":[56,185],"re-analysed":[57],"with":[58,65,82,88,143,171,195,219],"an":[59],"artificial":[60],"neural":[61],"network":[62],"(ANN)":[63],"built":[64,151],"transparent":[67],"hyperparameter":[68],"search;":[69],"establish":[71],"whether":[72],"ANN":[74,142,207,307,340,352],"competitive":[77],"model,":[78],"it":[79],"was":[80,133,150,199],"compared":[81],"modified":[84],"Tammann\u2013Tait":[85,191,261,332],"equation":[86,262,333,359],"perturbed-chain":[90],"statistical":[91],"associating":[92],"fluid":[93],"theory":[94],"(PC-SAFT).":[95],"Specifically,":[96],"curated":[98],"dataset":[99],"comprising":[100],"866":[101],"points":[104],"x":[106],"WCOB":[107],"(1\u2212x)":[109],"(x":[111],"=":[112,238,254,271,299],"mass":[113],"fraction":[114],"WCOB),":[116],"covering":[117],"temperatures":[118],"from":[119,125],"298.15":[120],"393.15":[122],"K,":[123],"pressures":[124],"0.1":[126],"140":[128],"MPa,":[129],"seven":[131],"compositions,":[132],"used":[134,368],"development":[137],"benchmarking.":[139],"A":[140],"feed-forward":[141],"temperature,":[144],"composition":[147],"as":[148,318,320],"inputs":[149],"by":[152],"validation-based":[154],"search":[155],"number":[158],"hidden":[160,210],"neurons":[161],"(3\u2013100),":[162],"four":[163,265],"activation":[164],"functions":[165],"eight":[167],"optimizers,":[168],"assessed":[170],"held-out":[173],"test":[174],"subset,":[175],"five-fold":[176,250],"cross-validation":[177],"(CV)":[178],"leave-one-composition-out":[180],"tests.":[181],"The":[182,205,260,331,364],"same":[183,203,362],"protocols":[184],"applied":[186],"36-parameter":[189],"composition-dependent":[190],"equation,":[192],"PC-SAFT":[194,296],"one":[196,326],"binary":[197],"parameter":[198],"fitted":[200],"data.":[204,330,363],"retained":[206],"(15":[208],"sigmoid":[209],"neurons,":[211],"Adam":[212],"optimizer,":[213],"76":[214],"parameters)":[215],"reproduces":[216],"root-mean-square":[221],"error":[222],"(RMSE)":[223],"0.93":[225],"\u00b1":[226,240,243],"0.15":[227],"kg":[228,256,273,292,301],"m":[229,257,274,293,302],"\u22123":[230,258,275,294,303],"coefficient":[233],"determination":[235],"R":[236],"2":[237],"0.99942":[239],"0.00018":[241],"(mean":[242],"standard":[244],"deviation":[245],"10":[247],"random":[248],"initializations);":[249],"CV":[251],"gives":[252,297],"RMSE":[253,270,298],"0.81":[255],".":[259,304],"about":[264,316],"times":[266],"more":[267],"accurate":[268,319],"(CV":[269],"0.19":[272],")":[276],"only":[280,369],"clearly":[282],"below":[283],"expanded":[285],"uncertainty":[287],"measurements":[290],"(0.7":[291],");":[295],"1.70":[300],"Overall,":[305],"valid":[310],"correlation":[311],"surface,":[315],"twice":[317],"PC-SAFT,":[321],"but":[322],"not":[323],"best":[325],"these":[328],"smooth":[329],"recommended":[335],"correlating":[337],"them;":[338],"interest":[343],"when":[344],"no":[345],"functional":[346],"form":[347],"available,":[349],"any":[351],"should":[353,366],"be":[354,367],"benchmarked":[355],"against":[356],"Tait-type":[358],"on":[360],"models":[365],"within":[370],"ranges.":[373]},"counts_by_year":[],"updated_date":"2026-11-11T12:16:26.678958","created_date":"2026-11-10T00:00:00"}