{"id":"https://openalex.org/W7204196085","doi":"https://doi.org/10.1080/00268976.2026.2716848","title":"A theoretical study on the gas-phase fire suppression mechanism of potassium-based compounds","display_name":"A theoretical study on the gas-phase fire suppression mechanism of potassium-based compounds","publication_year":2026,"publication_date":"2026-08-25","ids":{"openalex":"https://openalex.org/W7204196085","doi":"https://doi.org/10.1080/00268976.2026.2716848"},"language":"en","primary_location":{"id":"doi:10.1080/00268976.2026.2716848","doi":"https://doi.org/10.1080/00268976.2026.2716848","is_oa":false,"landing_page_url":"https://doi.org/10.1080/00268976.2026.2716848","pdf_url":null,"source":{"id":"https://openalex.org/S204809294","display_name":"Molecular Physics","issn_l":"0026-8976","issn":["0026-8976","1362-3028"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","jufo-1","norway-1"],"host_organization":"https://openalex.org/P4310320547","host_organization_name":"Taylor & Francis","host_organization_lineage":["https://openalex.org/P4310320547","https://openalex.org/P4310320449"],"host_organization_lineage_names":["Taylor & Francis","Informa"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Molecular Physics","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref"],"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/A5148117897","display_name":"Liang Qiao","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I38877650","display_name":"Zhengzhou University","ror":"https://ror.org/04ypx8c21","country_code":"CN","type":"education","lineage":["https://openalex.org/I38877650"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Liang Qiao","raw_affiliation_strings":["Zhengzhou University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Zhengzhou University","institution_ids":["https://openalex.org/I38877650"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Wei Zhong","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I38877650","display_name":"Zhengzhou University","ror":"https://ror.org/04ypx8c21","country_code":"CN","type":"education","lineage":["https://openalex.org/I38877650"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Wei Zhong","raw_affiliation_strings":["Zhengzhou University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Zhengzhou University","institution_ids":["https://openalex.org/I38877650"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5025236850","display_name":"Tianshui Liang","orcid":"https://orcid.org/0000-0001-5299-1836","observed_orcids":["https://orcid.org/0000-0001-5299-1836"]},"institutions":[{"id":"https://openalex.org/I38877650","display_name":"Zhengzhou University","ror":"https://ror.org/04ypx8c21","country_code":"CN","type":"education","lineage":["https://openalex.org/I38877650"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Tianshui Liang","raw_affiliation_strings":["Zhengzhou University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Zhengzhou University","institution_ids":["https://openalex.org/I38877650"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5025236850"],"corresponding_institution_ids":["https://openalex.org/I38877650"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.60312321,"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/T10117","display_name":"Advanced Combustion Engine Technologies","score":0.47290000319480896,"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"}},"topics":[{"id":"https://openalex.org/T10117","display_name":"Advanced Combustion Engine Technologies","score":0.47290000319480896,"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"}},{"id":"https://openalex.org/T11317","display_name":"Fire dynamics and safety research","score":0.38749998807907104,"subfield":{"id":"https://openalex.org/subfields/2213","display_name":"Safety, Risk, Reliability and Quality"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T13013","display_name":"Free Radicals and Antioxidants","score":0.03139999881386757,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic 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/potassium-peroxide","display_name":"potassium peroxide","score":0.6349999904632568},{"id":"https://openalex.org/keywords/potassium-hydroxide","display_name":"potassium hydroxide","score":0.8190000057220459},{"id":"https://openalex.org/keywords/potassium-hydride","display_name":"potassium hydride","score":0.6629999876022339},{"id":"https://openalex.org/keywords/thermal-stability","display_name":"thermal stability","score":0.6610000133514404},{"id":"https://openalex.org/keywords/radical-reactions","display_name":"radical reactions","score":0.7680000066757202},{"id":"https://openalex.org/keywords/rate-constants","display_name":"rate constants","score":0.7540000081062317},{"id":"https://openalex.org/keywords/activation-barrier","display_name":"activation barrier","score":0.953000009059906}],"concepts":[{"id":"https://openalex.org/C139066938","wikidata":"https://www.wikidata.org/wiki/Q185056","display_name":"Radical","level":2,"score":0.849399983882904},{"id":"https://openalex.org/C105923489","wikidata":"https://www.wikidata.org/wiki/Q133235","display_name":"Combustion","level":2,"score":0.6833999752998352},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6251000165939331},{"id":"https://openalex.org/C59061564","wikidata":"https://www.wikidata.org/wiki/Q7783071","display_name":"Thermal stability","level":2,"score":0.5098000168800354},{"id":"https://openalex.org/C204323151","wikidata":"https://www.wikidata.org/wiki/Q905424","display_name":"Range (aeronautics)","level":2,"score":0.4880000054836273},{"id":"https://openalex.org/C204530211","wikidata":"https://www.wikidata.org/wiki/Q752823","display_name":"Thermal","level":2,"score":0.48590001463890076},{"id":"https://openalex.org/C65024703","wikidata":"https://www.wikidata.org/wiki/Q373406","display_name":"Reaction mechanism","level":3,"score":0.446399986743927},{"id":"https://openalex.org/C93391505","wikidata":"https://www.wikidata.org/wiki/Q658700","display_name":"Reaction rate constant","level":3,"score":0.4327000081539154},{"id":"https://openalex.org/C517785266","wikidata":"https://www.wikidata.org/wiki/Q703","display_name":"Potassium","level":2,"score":0.41029998660087585},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.40689998865127563},{"id":"https://openalex.org/C168931907","wikidata":"https://www.wikidata.org/wiki/Q1160121","display_name":"Chain reaction","level":2,"score":0.3662000000476837},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.3637000024318695},{"id":"https://openalex.org/C89611455","wikidata":"https://www.wikidata.org/wiki/Q6804646","display_name":"Mechanism (biology)","level":2,"score":0.3582000136375427},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.33059999346733093},{"id":"https://openalex.org/C57476982","wikidata":"https://www.wikidata.org/wiki/Q582857","display_name":"Transition state theory","level":4,"score":0.3176000118255615},{"id":"https://openalex.org/C175113610","wikidata":"https://www.wikidata.org/wiki/Q3394849","display_name":"Reaction rate","level":3,"score":0.3098999857902527},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.3086000084877014},{"id":"https://openalex.org/C95121573","wikidata":"https://www.wikidata.org/wiki/Q190474","display_name":"Activation energy","level":2,"score":0.2919999957084656},{"id":"https://openalex.org/C2164484","wikidata":"https://www.wikidata.org/wiki/Q5170150","display_name":"Core (optical fiber)","level":2,"score":0.28200000524520874},{"id":"https://openalex.org/C72688512","wikidata":"https://www.wikidata.org/wiki/Q908282","display_name":"Thermal runaway","level":4,"score":0.2736000120639801},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.2712000012397766},{"id":"https://openalex.org/C156383657","wikidata":"https://www.wikidata.org/wiki/Q902126","display_name":"Heat of combustion","level":3,"score":0.27090001106262207},{"id":"https://openalex.org/C75473681","wikidata":"https://www.wikidata.org/wiki/Q188651","display_name":"Photochemistry","level":1,"score":0.2700999975204468},{"id":"https://openalex.org/C122156500","wikidata":"https://www.wikidata.org/wiki/Q41399","display_name":"Fire protection","level":2,"score":0.2639000117778778},{"id":"https://openalex.org/C177801218","wikidata":"https://www.wikidata.org/wiki/Q36534","display_name":"Chemical reaction","level":2,"score":0.26350000500679016},{"id":"https://openalex.org/C112972136","wikidata":"https://www.wikidata.org/wiki/Q7595718","display_name":"Stability (learning theory)","level":2,"score":0.2603999972343445},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.2590999901294708},{"id":"https://openalex.org/C140205800","wikidata":"https://www.wikidata.org/wiki/Q5860","display_name":"Carbon fibers","level":3,"score":0.25220000743865967}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1080/00268976.2026.2716848","doi":"https://doi.org/10.1080/00268976.2026.2716848","is_oa":false,"landing_page_url":"https://doi.org/10.1080/00268976.2026.2716848","pdf_url":null,"source":{"id":"https://openalex.org/S204809294","display_name":"Molecular Physics","issn_l":"0026-8976","issn":["0026-8976","1362-3028"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","jufo-1","norway-1"],"host_organization":"https://openalex.org/P4310320547","host_organization_name":"Taylor & Francis","host_organization_lineage":["https://openalex.org/P4310320547","https://openalex.org/P4310320449"],"host_organization_lineage_names":["Taylor & Francis","Informa"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Molecular Physics","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"sustainable_development_goals_aurora":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G5330804405","display_name":null,"funder_award_id":"242300421226","funder_id":"https://openalex.org/F4320323845","funder_display_name":"Natural Science Foundation of Henan Province"},{"id":"https://openalex.org/G6989431641","display_name":null,"funder_award_id":"52376130","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320323845","display_name":"Natural Science Foundation of Henan Province","ror":null}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":22,"referenced_works":["https://openalex.org/W1968418820","https://openalex.org/W1978032248","https://openalex.org/W1988091937","https://openalex.org/W2029667189","https://openalex.org/W2058253881","https://openalex.org/W2068077887","https://openalex.org/W2087190384","https://openalex.org/W2092157292","https://openalex.org/W2092930273","https://openalex.org/W2096747776","https://openalex.org/W2132525235","https://openalex.org/W2132973398","https://openalex.org/W2140871833","https://openalex.org/W2262676770","https://openalex.org/W2509873860","https://openalex.org/W2613053710","https://openalex.org/W2809072802","https://openalex.org/W2893690737","https://openalex.org/W3015846020","https://openalex.org/W3027308092","https://openalex.org/W3140615080","https://openalex.org/W4320234107"],"related_works":[],"abstract_inverted_index":{"Potassium":[0],"salts":[1],"are":[2,38,46,65,122,143,152],"widely":[3],"recognised":[4],"as":[5,40,87],"highly":[6],"efficient":[7],"and":[8,32,35,55,58,101,114,127,131],"clean":[9],"fire":[10,92],"suppressants,":[11],"yet":[12],"their":[13,59],"reaction":[14,102],"mechanisms":[15],"with":[16],"free":[17,98],"radicals":[18,117],"under":[19,79],"high-temperature":[20,80],"conditions":[21],"remain":[22],"to":[23,133,154],"be":[24,134],"thoroughly":[25],"elucidated.":[26],"In":[27],"this":[28,95,141],"work,":[29],"elemental":[30],"K":[31],"its":[33],"oxidised":[34],"hydrogenated":[36],"derivatives":[37],"taken":[39],"the":[41,97,157,163],"research":[42],"objects.":[43],"Geometry":[44],"optimizations":[45],"performed":[47],"on":[48],"all":[49],"plausible":[50],"configurations":[51],"of":[52,105,165],"KOn,":[53],"KHn":[54],"KOnHm":[56],"systems,":[57],"thermal":[60,77],"stabilities":[61],"at":[62,137],"high":[63,138],"temperatures":[64,139],"further":[66,123],"investigated.":[67],"The":[68],"results":[69],"indicate":[70],"that":[71,83],"several":[72],"potassium-based":[73,166],"compounds":[74],"possess":[75],"favourable":[76],"stability":[78],"conditions,":[81],"suggesting":[82],"they":[84],"may":[85],"serve":[86],"key":[88],"species":[89,144,167],"in":[90,140,148,156,169],"gas-phase":[91],"suppression.":[93],"On":[94],"basis,":[96],"energy":[99],"barriers":[100],"rate":[103],"constants":[104],"reactions":[106],"between":[107],"KH,":[108],"KOH,":[109],"KO2,":[110],"KO,":[111],"KO2H,":[112],"KO2H2":[113],"core":[115],"combustion":[116],"(H,":[118],"O,":[119],"OH,":[120],"HO2)":[121],"calculated.":[124],"Notably,":[125],"KO2H":[126],"KO2H2,":[128],"newly":[129],"identified":[130],"verified":[132],"thermally":[135],"stable":[136],"study,":[142],"not":[145],"accounted":[146],"for":[147],"conventional":[149],"mechanisms.":[150,173],"They":[151],"predicted":[153],"participate":[155],"radical":[158],"consumption":[159],"process,":[160],"thereby":[161],"expanding":[162],"range":[164],"considered":[168],"theoretical":[170],"flame":[171],"inhibition":[172]},"counts_by_year":[],"updated_date":"2026-09-27T08:07:27.782135","created_date":"2026-08-26T00:00:00"}