{"id":"https://openalex.org/W7214432203","doi":"https://doi.org/10.33003/fjs-2026-1018-5688","title":"Application of Dubinin-Radushkevich Isotherms and Density Functional Theory to Phenolic Contaminant Remediation Using Mg-Activated Snail Shell Biochar","display_name":"Application of Dubinin-Radushkevich Isotherms and Density Functional Theory to Phenolic Contaminant Remediation Using Mg-Activated Snail Shell Biochar","publication_year":2026,"publication_date":"2026-09-18","ids":{"openalex":"https://openalex.org/W7214432203","doi":"https://doi.org/10.33003/fjs-2026-1018-5688"},"language":"en","primary_location":{"id":"doi:10.33003/fjs-2026-1018-5688","doi":"https://doi.org/10.33003/fjs-2026-1018-5688","is_oa":true,"landing_page_url":"https://doi.org/10.33003/fjs-2026-1018-5688","pdf_url":"https://fjs.fudutsinma.edu.ng/index.php/fjs/article/download/5688/3931","source":{"id":"https://openalex.org/S4210224159","display_name":"FUDMA Journal of Sciences","issn_l":"2616-1370","issn":["2616-1370","2645-2944"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/P4404662838","host_organization_name":"Federal University, Dutsin-Ma","host_organization_lineage":["https://openalex.org/P4404662838"],"host_organization_lineage_names":["Federal University, Dutsin-Ma"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"FUDMA Journal of Sciences","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"diamond","oa_url":"https://fjs.fudutsinma.edu.ng/index.php/fjs/article/download/5688/3931","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5008147742","display_name":"Hitler Louis","orcid":"https://orcid.org/0000-0002-0286-2865","observed_orcids":["https://orcid.org/0000-0002-0286-2865"]},"institutions":[{"id":"https://openalex.org/I3970730","display_name":"University of Calabar","ror":"https://ror.org/05qderh61","country_code":"NG","type":"education","lineage":["https://openalex.org/I3970730"]}],"countries":["NG"],"is_corresponding":false,"raw_author_name":"Hitler Louis","raw_affiliation_strings":["University of Calabar"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Calabar","institution_ids":["https://openalex.org/I3970730"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5152991989","display_name":"Theresa Egbuchunam","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I3970730","display_name":"University of Calabar","ror":"https://ror.org/05qderh61","country_code":"NG","type":"education","lineage":["https://openalex.org/I3970730"]}],"countries":["NG"],"is_corresponding":false,"raw_author_name":"Theresa Egbuchunam","raw_affiliation_strings":["Department of Pure and Industrial Chemistry , University of Calabar , Calabar , Cross River , Nigeria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pure and Industrial Chemistry , University of Calabar , Calabar , Cross River , Nigeria","institution_ids":["https://openalex.org/I3970730"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5062355899","display_name":"Idongesit Justina Mbonu","orcid":"https://orcid.org/0000-0003-1056-5702","observed_orcids":["https://orcid.org/0000-0003-1056-5702"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Idongesit Mbonu","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":true,"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":"10","issue":"18","first_page":"58","last_page":"70"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10016","display_name":"Adsorption and biosorption for pollutant removal","score":0.9990000128746033,"subfield":{"id":"https://openalex.org/subfields/2312","display_name":"Water Science and Technology"},"field":{"id":"https://openalex.org/fields/23","display_name":"Environmental Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10016","display_name":"Adsorption and biosorption for pollutant removal","score":0.9990000128746033,"subfield":{"id":"https://openalex.org/subfields/2312","display_name":"Water Science and Technology"},"field":{"id":"https://openalex.org/fields/23","display_name":"Environmental Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12078","display_name":"Environmental remediation with nanomaterials","score":0.00039999998989515007,"subfield":{"id":"https://openalex.org/subfields/2305","display_name":"Environmental Engineering"},"field":{"id":"https://openalex.org/fields/23","display_name":"Environmental Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T13604","display_name":"Adsorption, diffusion, and thermodynamic properties of materials","score":9.999999747378752e-05,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/phenol-adsorption","display_name":"phenol adsorption","score":0.8569999933242798},{"id":"https://openalex.org/keywords/magnesium-activation","display_name":"magnesium activation","score":0.7289999723434448},{"id":"https://openalex.org/keywords/langmuir-isotherm","display_name":"Langmuir isotherm","score":0.8429999947547913},{"id":"https://openalex.org/keywords/adsorption-energy","display_name":"adsorption energy","score":0.7749999761581421},{"id":"https://openalex.org/keywords/homo-lumo-gap","display_name":"HOMO-LUMO gap","score":0.9049999713897705},{"id":"https://openalex.org/keywords/adsorption-mechanism","display_name":"adsorption mechanism","score":0.4560000002384186}],"concepts":[{"id":"https://openalex.org/C150394285","wikidata":"https://www.wikidata.org/wiki/Q180254","display_name":"Adsorption","level":2,"score":0.8945000171661377},{"id":"https://openalex.org/C56085101","wikidata":"https://www.wikidata.org/wiki/Q905495","display_name":"Biochar","level":3,"score":0.871999979019165},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.8136000037193298},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.751800000667572},{"id":"https://openalex.org/C12143843","wikidata":"https://www.wikidata.org/wiki/Q6486358","display_name":"Langmuir adsorption model","level":3,"score":0.569100022315979},{"id":"https://openalex.org/C69357855","wikidata":"https://www.wikidata.org/wiki/Q163214","display_name":"Diffusion","level":2,"score":0.5314000248908997},{"id":"https://openalex.org/C115958267","wikidata":"https://www.wikidata.org/wiki/Q464196","display_name":"Langmuir","level":3,"score":0.517799973487854},{"id":"https://openalex.org/C2777702071","wikidata":"https://www.wikidata.org/wiki/Q130336","display_name":"Phenol","level":2,"score":0.49149999022483826},{"id":"https://openalex.org/C2781052500","wikidata":"https://www.wikidata.org/wiki/Q2230313","display_name":"Shell (structure)","level":2,"score":0.36320000886917114},{"id":"https://openalex.org/C522964758","wikidata":"https://www.wikidata.org/wiki/Q2019586","display_name":"Environmental remediation","level":3,"score":0.34700000286102295},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.33009999990463257},{"id":"https://openalex.org/C107872376","wikidata":"https://www.wikidata.org/wiki/Q321355","display_name":"Environmental chemistry","level":1,"score":0.32839998602867126},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.30799999833106995},{"id":"https://openalex.org/C113196181","wikidata":"https://www.wikidata.org/wiki/Q485223","display_name":"Analytical Chemistry (journal)","level":2,"score":0.290800005197525},{"id":"https://openalex.org/C42360764","wikidata":"https://www.wikidata.org/wiki/Q83588","display_name":"Chemical engineering","level":1,"score":0.2750999927520752},{"id":"https://openalex.org/C179104552","wikidata":"https://www.wikidata.org/wiki/Q11165","display_name":"Inorganic chemistry","level":1,"score":0.26489999890327454}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.33003/fjs-2026-1018-5688","doi":"https://doi.org/10.33003/fjs-2026-1018-5688","is_oa":true,"landing_page_url":"https://doi.org/10.33003/fjs-2026-1018-5688","pdf_url":"https://fjs.fudutsinma.edu.ng/index.php/fjs/article/download/5688/3931","source":{"id":"https://openalex.org/S4210224159","display_name":"FUDMA Journal of Sciences","issn_l":"2616-1370","issn":["2616-1370","2645-2944"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/P4404662838","host_organization_name":"Federal University, Dutsin-Ma","host_organization_lineage":["https://openalex.org/P4404662838"],"host_organization_lineage_names":["Federal University, Dutsin-Ma"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"FUDMA Journal of Sciences","raw_type":"journal-article"},{"id":"pmh:oai:fjs.fudutsinma.edu.ng:article/5688","doi":null,"is_oa":true,"landing_page_url":"https://fjs.fudutsinma.edu.ng/index.php/index/article/view/5688","pdf_url":null,"source":{"id":"https://openalex.org/S4210224159","display_name":"FUDMA Journal of Sciences","issn_l":"2616-1370","issn":["2616-1370","2645-2944"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/P4404662838","host_organization_name":"Federal University, Dutsin-Ma","host_organization_lineage":["https://openalex.org/P4404662838"],"host_organization_lineage_names":["Federal University, Dutsin-Ma"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2645-2944","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":{"id":"doi:10.33003/fjs-2026-1018-5688","doi":"https://doi.org/10.33003/fjs-2026-1018-5688","is_oa":true,"landing_page_url":"https://doi.org/10.33003/fjs-2026-1018-5688","pdf_url":"https://fjs.fudutsinma.edu.ng/index.php/fjs/article/download/5688/3931","source":{"id":"https://openalex.org/S4210224159","display_name":"FUDMA Journal of Sciences","issn_l":"2616-1370","issn":["2616-1370","2645-2944"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/P4404662838","host_organization_name":"Federal University, Dutsin-Ma","host_organization_lineage":["https://openalex.org/P4404662838"],"host_organization_lineage_names":["Federal University, Dutsin-Ma"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"FUDMA Journal of Sciences","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/6","score":0.7778000235557556,"display_name":"Clean water and sanitation"}],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7214432203.pdf","grobid_xml":"https://content.openalex.org/works/W7214432203.grobid-xml"},"referenced_works_count":39,"referenced_works":["https://openalex.org/W1971575657","https://openalex.org/W1988091937","https://openalex.org/W2026596812","https://openalex.org/W2028131301","https://openalex.org/W2092157292","https://openalex.org/W2117010704","https://openalex.org/W2939193816","https://openalex.org/W3004850069","https://openalex.org/W3005373773","https://openalex.org/W3009992035","https://openalex.org/W3041176794","https://openalex.org/W3108642268","https://openalex.org/W3121957667","https://openalex.org/W3129687545","https://openalex.org/W3158829727","https://openalex.org/W3168411724","https://openalex.org/W3195211244","https://openalex.org/W4212922732","https://openalex.org/W4225280505","https://openalex.org/W4283360962","https://openalex.org/W4293003019","https://openalex.org/W4297182780","https://openalex.org/W4309737924","https://openalex.org/W4313530480","https://openalex.org/W4318467776","https://openalex.org/W4324380823","https://openalex.org/W4382934063","https://openalex.org/W4387122115","https://openalex.org/W4389080890","https://openalex.org/W4390672499","https://openalex.org/W4396673606","https://openalex.org/W4401713124","https://openalex.org/W4406628738","https://openalex.org/W4407199552","https://openalex.org/W4407834768","https://openalex.org/W4408799066","https://openalex.org/W4411088362","https://openalex.org/W4411521345","https://openalex.org/W4413328127"],"related_works":["https://openalex.org/W7162247609","https://openalex.org/W4311748267","https://openalex.org/W2589860032","https://openalex.org/W2029244998","https://openalex.org/W2486629070","https://openalex.org/W7202032646","https://openalex.org/W7045241837","https://openalex.org/W3177884295","https://openalex.org/W4313530480","https://openalex.org/W3112112858"],"abstract_inverted_index":{"This":[0],"study":[1],"applies":[2],"the":[3,14,103,109,121,148,152,183,192,206],"Dubinin-Radushkevich-Misra":[4],"(DRM)":[5],"isotherm":[6],"and":[7,16,22,43,47,54,75,89,115,124,142,156,162,170,204,212],"density":[8],"functional":[9],"theory":[10],"(DFT)":[11],"to":[12],"investigate":[13],"adsorption":[15,49,68,84,96,135,172,216],"molecular":[17],"interactions":[18],"of":[19,39,52,70,97,137,174,209],"phenol":[20],"(PNL)":[21],"para-chlorophenol":[23],"(PCP)":[24],"on":[25],"Mg-modified":[26],"snail":[27],"shell":[28],"biochar":[29],"(Mg@SSB).":[30],"The":[31,58,81,166],"Langmuir":[32,193],"model":[33,60,107],"provided":[34,108],"good":[35],"fits,":[36],"with":[37,65,134],"values":[38],"0.9860-0.9970":[40],"for":[41,45,73,79,112,140,145,180,200],"PNL":[42,74,114],"0.9834-0.9921":[44],"PCP,":[46,116],"maximum":[48,67],"capacities":[50],"(qmax)":[51],"11.16-11.85":[53],"12.64-13.30":[55],"mg/g,":[56],"respectively.":[57,165],"DRM":[59,83,169,185,210],"showed":[61,101],"stronger":[62,95,168],"correlations":[63,111,186],"(R2),":[64],"predicted":[66],"amounts":[69],"14.84":[71],"mg/g":[72],"57.81":[76],"mg":[77],"g":[78],"PCP.":[80,98],"corresponding":[82],"energies":[85,136],"(Eads)":[86],"were":[87,159],"9.42":[88],"13.61":[90],"kJ":[91],"mol,":[92],"respectively,":[93],"indicating":[94],"Kinetic":[99],"analysis":[100],"that":[102],"Weber-Morris":[104],"intraparticle":[105],"diffusion":[106],"highest":[110],"both":[113],"exceeding":[117],"those":[118],"obtained":[119],"from":[120],"pseudo-first-order,":[122],"pseudo-second-order,":[123],"Elovich":[125],"models.":[126],"DFT":[127,171,213],"calculations":[128],"further":[129],"supported":[130],"preferential":[131],"PCP":[132,175],"adsorption,":[133],"-1.1683":[138],"eV":[139,144],"PCP\u2013Mg@SSB":[141],"-0.8163":[143],"PNL\u2013Mg@SSB.":[146],"For":[147],"pristine":[149],"Mg@SSB":[150],"surface,":[151],"calculated":[153],"HOMO,":[154],"LUMO,":[155],"HOMO\u2013LUMO":[157],"gap":[158],"-4.978,":[160],"-2.997,":[161],"1.981":[163],"eV,":[164],"consistently":[167],"characteristics":[173],"demonstrate":[176],"its":[177],"greater":[178],"affinity":[179],"Mg@SSB,":[181],"while":[182],"high":[184],"provide":[187],"additional":[188],"mechanistic":[189],"information":[190],"beyond":[191],"model.":[194],"These":[195],"findings":[196],"show":[197],"Mg@SSB's":[198],"potential":[199],"remediating":[201],"phenolic":[202],"contaminants":[203],"highlight":[205],"complementary":[207],"value":[208],"modelling":[211],"in":[214],"elucidating":[215],"behaviour.":[217]},"counts_by_year":[],"updated_date":"2026-11-07T11:25:07.637180","created_date":"2026-09-27T00:00:00"}