{"id":"https://openalex.org/W2124075192","doi":"https://doi.org/10.1039/c4cp00711e","title":"Combining experiment and theory to elucidate the role of supercritical water in sulfide decomposition","display_name":"Combining experiment and theory to elucidate the role of supercritical water in sulfide decomposition","publication_year":2014,"publication_date":"2014-01-01","ids":{"openalex":"https://openalex.org/W2124075192","doi":"https://doi.org/10.1039/c4cp00711e","mag":"2124075192","pmid":"https://pubmed.ncbi.nlm.nih.gov/24728624"},"language":"en","primary_location":{"id":"doi:10.1039/c4cp00711e","doi":"https://doi.org/10.1039/c4cp00711e","is_oa":false,"landing_page_url":"https://doi.org/10.1039/c4cp00711e","pdf_url":null,"source":{"id":"https://openalex.org/S181332294","display_name":"Physical Chemistry Chemical Physics","issn_l":"1463-9076","issn":["1463-9076","1463-9084"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-3","ki-jl-1","medline","norway-2","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Phys. Chem. Chem. Phys.","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5048384312","display_name":"Yuko Kida","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I63966007","display_name":"Massachusetts Institute of Technology","ror":"https://ror.org/042nb2s44","country_code":"US","type":"education","lineage":["https://openalex.org/I63966007"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Yuko Kida","raw_affiliation_strings":["Cambridge, USA","Department of Chemical Engineering","Massachusetts Institute of Technology","Massachusetts Institute of Technology, Department of Chemical Engineering, 77 Massachusetts Ave 66-350, Cambridge, MA, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Cambridge, USA","institution_ids":[]},{"raw_affiliation_string":"Department of Chemical Engineering","institution_ids":[]},{"raw_affiliation_string":"Massachusetts Institute of Technology","institution_ids":["https://openalex.org/I63966007"]},{"raw_affiliation_string":"Massachusetts Institute of Technology, Department of Chemical Engineering, 77 Massachusetts Ave 66-350, Cambridge, MA, USA","institution_ids":["https://openalex.org/I63966007"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5034382901","display_name":"Caleb A. Class","orcid":"https://orcid.org/0000-0003-3130-3613","observed_orcids":["https://orcid.org/0000-0003-3130-3613"]},"institutions":[{"id":"https://openalex.org/I63966007","display_name":"Massachusetts Institute of Technology","ror":"https://ror.org/042nb2s44","country_code":"US","type":"education","lineage":["https://openalex.org/I63966007"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Caleb A. Class","raw_affiliation_strings":["Cambridge, USA","Department of Chemical Engineering","Massachusetts Institute of Technology","Massachusetts Institute of Technology, Department of Chemical Engineering, 77 Massachusetts Ave 66-350,Cambridge,USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Cambridge, USA","institution_ids":[]},{"raw_affiliation_string":"Department of Chemical Engineering","institution_ids":[]},{"raw_affiliation_string":"Massachusetts Institute of Technology","institution_ids":["https://openalex.org/I63966007"]},{"raw_affiliation_string":"Massachusetts Institute of Technology, Department of Chemical Engineering, 77 Massachusetts Ave 66-350,Cambridge,USA","institution_ids":["https://openalex.org/I63966007"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5011616701","display_name":"Anthony Joseph Concepcion","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I63966007","display_name":"Massachusetts Institute of Technology","ror":"https://ror.org/042nb2s44","country_code":"US","type":"education","lineage":["https://openalex.org/I63966007"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Anthony J. Concepcion","raw_affiliation_strings":["Cambridge, USA","Department of Chemical Engineering","Massachusetts Institute of Technology"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Cambridge, USA","institution_ids":[]},{"raw_affiliation_string":"Department of Chemical Engineering","institution_ids":[]},{"raw_affiliation_string":"Massachusetts Institute of Technology","institution_ids":["https://openalex.org/I63966007"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5056138758","display_name":"Micha\u00ebl T. Timko","orcid":"https://orcid.org/0000-0001-8767-1613","observed_orcids":["https://orcid.org/0000-0001-8767-1613"]},"institutions":[{"id":"https://openalex.org/I107077323","display_name":"Worcester Polytechnic Institute","ror":"https://ror.org/05ejpqr48","country_code":"US","type":"education","lineage":["https://openalex.org/I107077323"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Michael T. Timko","raw_affiliation_strings":["Department of Chemical Engineering","Worcester Polytechnic Institute","Worcester, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering","institution_ids":[]},{"raw_affiliation_string":"Worcester Polytechnic Institute","institution_ids":["https://openalex.org/I107077323"]},{"raw_affiliation_string":"Worcester, USA","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5051475129","display_name":"William H. Green","orcid":"https://orcid.org/0000-0003-2603-9694","observed_orcids":["https://orcid.org/0000-0003-2603-9694"]},"institutions":[{"id":"https://openalex.org/I63966007","display_name":"Massachusetts Institute of Technology","ror":"https://ror.org/042nb2s44","country_code":"US","type":"education","lineage":["https://openalex.org/I63966007"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"William H. Green","raw_affiliation_strings":["Cambridge, USA","Department of Chemical Engineering","Massachusetts Institute of Technology"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Cambridge, USA","institution_ids":[]},{"raw_affiliation_string":"Department of Chemical Engineering","institution_ids":[]},{"raw_affiliation_string":"Massachusetts Institute of Technology","institution_ids":["https://openalex.org/I63966007"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5051475129"],"corresponding_institution_ids":["https://openalex.org/I63966007"],"apc_list":null,"apc_paid":null,"fwci":3.3949,"has_fulltext":false,"cited_by_count":70,"citation_normalized_percentile":{"value":0.9188058,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":93,"max":99},"biblio":{"volume":"16","issue":"20","first_page":"9220","last_page":"9228"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12706","display_name":"Subcritical and Supercritical Water Processes","score":0.9984999895095825,"subfield":{"id":"https://openalex.org/subfields/1508","display_name":"Process Chemistry and Technology"},"field":{"id":"https://openalex.org/fields/15","display_name":"Chemical Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T12706","display_name":"Subcritical and Supercritical Water Processes","score":0.9984999895095825,"subfield":{"id":"https://openalex.org/subfields/1508","display_name":"Process Chemistry and Technology"},"field":{"id":"https://openalex.org/fields/15","display_name":"Chemical Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11351","display_name":"Catalysis and Hydrodesulfurization Studies","score":0.0003000000142492354,"subfield":{"id":"https://openalex.org/subfields/1503","display_name":"Catalysis"},"field":{"id":"https://openalex.org/fields/15","display_name":"Chemical Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12567","display_name":"Heat transfer and supercritical fluids","score":0.0003000000142492354,"subfield":{"id":"https://openalex.org/subfields/2206","display_name":"Computational Mechanics"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/supercritical-water","display_name":"supercritical water","score":1.0},{"id":"https://openalex.org/keywords/alkyl-sulfides","display_name":"alkyl sulfides","score":0.8309999704360962},{"id":"https://openalex.org/keywords/c-s-bond-cleavage","display_name":"C\u2013S bond cleavage","score":0.984000027179718},{"id":"https://openalex.org/keywords/reaction-mechanism","display_name":"reaction mechanism","score":0.8240000009536743},{"id":"https://openalex.org/keywords/thioaldehydes","display_name":"thioaldehydes","score":0.8130000233650208},{"id":"https://openalex.org/keywords/radical-reactions","display_name":"radical reactions","score":0.5839999914169312},{"id":"https://openalex.org/keywords/fuel-processing","display_name":"fuel processing","score":0.6840000152587891},{"id":"https://openalex.org/keywords/quantum-chemical-calculations","display_name":"quantum chemical calculations","score":0.6930000185966492}],"concepts":[{"id":"https://openalex.org/C118419359","wikidata":"https://www.wikidata.org/wiki/Q682585","display_name":"Supercritical fluid","level":2,"score":0.8301800489425659},{"id":"https://openalex.org/C124681953","wikidata":"https://www.wikidata.org/wiki/Q339062","display_name":"Decomposition","level":2,"score":0.7518295049667358},{"id":"https://openalex.org/C2780596425","wikidata":"https://www.wikidata.org/wiki/Q221205","display_name":"Sulfide","level":2,"score":0.5548282861709595},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.45379650592803955},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.3334275484085083},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.1396235227584839}],"mesh":[{"descriptor_ui":"D007700","descriptor_name":"Kinetics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D013440","descriptor_name":"Sulfides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true}],"locations_count":3,"locations":[{"id":"doi:10.1039/c4cp00711e","doi":"https://doi.org/10.1039/c4cp00711e","is_oa":false,"landing_page_url":"https://doi.org/10.1039/c4cp00711e","pdf_url":null,"source":{"id":"https://openalex.org/S181332294","display_name":"Physical Chemistry Chemical Physics","issn_l":"1463-9076","issn":["1463-9076","1463-9084"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-3","ki-jl-1","medline","norway-2","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Phys. Chem. Chem. Phys.","raw_type":"journal-article"},{"id":"pmid:24728624","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/24728624","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Physical chemistry chemical physics : PCCP","raw_type":"Journal Article"},{"id":"pmh:oai:digitalcommons.butler.edu:cophs_papers-1256","doi":null,"is_oa":false,"landing_page_url":"https://digitalcommons.butler.edu/cophs_papers/259","pdf_url":null,"source":{"id":"https://openalex.org/S4306401403","display_name":"Digital Commons @ Butler University (Butler University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I110678235","host_organization_name":"Butler University","host_organization_lineage":["https://openalex.org/I110678235"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Scholarship and Professional Work \u2013 COPHS","raw_type":"text"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320309369","display_name":"Massachusetts Institute of Technology","ror":"https://ror.org/042nb2s44"},{"id":"https://openalex.org/F4320324706","display_name":"Saudi Aramco","ror":"https://ror.org/03ypap427"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":49,"referenced_works":["https://openalex.org/W7213209","https://openalex.org/W1274833258","https://openalex.org/W1634438879","https://openalex.org/W1964499544","https://openalex.org/W1965725481","https://openalex.org/W1975372243","https://openalex.org/W1975696013","https://openalex.org/W1979728293","https://openalex.org/W1981259692","https://openalex.org/W1983233842","https://openalex.org/W1985769005","https://openalex.org/W1995687044","https://openalex.org/W1996491338","https://openalex.org/W1997903375","https://openalex.org/W1998931119","https://openalex.org/W1998970054","https://openalex.org/W1999347518","https://openalex.org/W2000193505","https://openalex.org/W2001630290","https://openalex.org/W2004329325","https://openalex.org/W2009639512","https://openalex.org/W2011826055","https://openalex.org/W2012155180","https://openalex.org/W2013935168","https://openalex.org/W2014025395","https://openalex.org/W2018700636","https://openalex.org/W2022691797","https://openalex.org/W2023243064","https://openalex.org/W2028353456","https://openalex.org/W2028958795","https://openalex.org/W2032046006","https://openalex.org/W2037559683","https://openalex.org/W2038599593","https://openalex.org/W2039495070","https://openalex.org/W2068482931","https://openalex.org/W2072816136","https://openalex.org/W2076797752","https://openalex.org/W2078725207","https://openalex.org/W2083824110","https://openalex.org/W2093415667","https://openalex.org/W2099798607","https://openalex.org/W2127746382","https://openalex.org/W2128215809","https://openalex.org/W2169283297","https://openalex.org/W2315861229","https://openalex.org/W2949282185","https://openalex.org/W2951951568","https://openalex.org/W2952656619","https://openalex.org/W2953374821"],"related_works":["https://openalex.org/W2995188258","https://openalex.org/W2315861229","https://openalex.org/W2941056316","https://openalex.org/W3043121551","https://openalex.org/W3036896712","https://openalex.org/W4406819169","https://openalex.org/W2022691797","https://openalex.org/W4385128509","https://openalex.org/W2077595937","https://openalex.org/W2076366539"],"abstract_inverted_index":{"The":[0,106,142,160,171],"cleavage":[1,110],"of":[2,111,127,178],"C-S":[3,113],"linkages":[4],"plays":[5],"a":[6,117,124,139,154],"key":[7,107],"role":[8],"in":[9,58,68],"fuel":[10],"processing":[11],"and":[12,22,39,62,94,148],"organic":[13],"geochemistry.":[14],"Water":[15],"is":[16,87,109,173],"known":[17],"to":[18,41,70,115,129,137],"affect":[19],"these":[20],"processes,":[21],"several":[23],"hypotheses":[24],"have":[25],"been":[26,32],"proposed,":[27],"but":[28],"the":[29,71,91,103,130],"mechanism":[30],"has":[31],"elusive.":[33],"Here":[34],"we":[35],"use":[36],"both":[37],"experiment":[38],"theory":[40],"demonstrate":[42],"that":[43,101],"supercritical":[44,59,85],"water":[45,86,128],"reacts":[46],"with":[47,84],"intermediates":[48],"formed":[49],"during":[50],"alkyl":[51],"sulfide":[52,56,82],"decomposition.":[53],"During":[54],"hexyl":[55,81],"decomposition":[57],"water,":[60],"pentane":[61,167],"CO":[63,165],"+":[64],"CO2":[65],"were":[66],"detected":[67],"addition":[69,126],"expected":[72],"six":[73],"carbon":[74],"products.":[75],"A":[76],"multi-step":[77],"reaction":[78,180],"sequence":[79,108],"for":[80,175],"reacting":[83],"proposed":[88,104],"which":[89],"explains":[90],"surprising":[92],"products,":[93],"quantum":[95,185],"chemical":[96],"calculations":[97],"provide":[98],"quantitative":[99,176],"rates":[100],"support":[102],"mechanism.":[105],"one":[112],"bond":[114,136],"form":[116,138],"thioaldehyde":[118],"via":[119,153],"radical":[120,169],"reactions,":[121],"followed":[122],"by":[123,168],"pericyclic":[125],"C[double":[131],"bond,":[132],"length":[133],"as":[134],"m-dash]S":[135],"geminal":[140],"mercaptoalcohol.":[141],"mercaptoalcohol":[143],"decomposes":[144,163],"into":[145,164],"an":[146],"aldehyde":[147,161],"H2S":[149],"either":[150],"directly":[151],"or":[152],"water-catalyzed":[155],"6-membered":[156],"ring":[157],"transition":[158],"state.":[159],"quickly":[162],"plus":[166],"reactions.":[170],"time":[172],"ripe":[174],"modelling":[177],"organosulfur":[179],"kinetics":[181],"based":[182],"on":[183],"modern":[184],"chemistry.":[186]},"counts_by_year":[{"year":2026,"cited_by_count":3},{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":5},{"year":2023,"cited_by_count":7},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":4},{"year":2020,"cited_by_count":7},{"year":2019,"cited_by_count":10},{"year":2018,"cited_by_count":4},{"year":2017,"cited_by_count":7},{"year":2016,"cited_by_count":7},{"year":2015,"cited_by_count":8},{"year":2014,"cited_by_count":2}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2016-06-24T00:00:00"}
