{"id":"https://openalex.org/W7153984893","doi":"https://doi.org/10.48550/arxiv.2604.09053","title":"Modeling and Simulation of Nitrogen Generation by Pressure Swing Adsorption for Power-to-Ammonia","display_name":"Modeling and Simulation of Nitrogen Generation by Pressure Swing Adsorption for Power-to-Ammonia","publication_year":2026,"publication_date":"2026-04-10","ids":{"openalex":"https://openalex.org/W7153984893","doi":"https://doi.org/10.48550/arxiv.2604.09053"},"language":null,"primary_location":{"id":"doi:10.48550/arxiv.2604.09053","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2604.09053","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Preprint"},"type":"preprint","indexed_in":["datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://doi.org/10.48550/arxiv.2604.09053","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5092189532","display_name":"Marcus Johan Schytt","orcid":"https://orcid.org/0009-0001-8143-1878"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Schytt, Marcus J.","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5052825722","display_name":"Lorenz T. Biegler","orcid":"https://orcid.org/0000-0003-3875-4441"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Biegler, Lorenz T.","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5133538161","display_name":"John B. J\u00f8rgensen","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"J\u00f8rgensen, John B.","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":null,"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/T12112","display_name":"Ammonia Synthesis and Nitrogen Reduction","score":0.48249998688697815,"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"}},"topics":[{"id":"https://openalex.org/T12112","display_name":"Ammonia Synthesis and Nitrogen Reduction","score":0.48249998688697815,"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/T10967","display_name":"Carbon Dioxide Capture Technologies","score":0.47450000047683716,"subfield":{"id":"https://openalex.org/subfields/2210","display_name":"Mechanical Engineering"},"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/T11774","display_name":"Adsorption and Cooling Systems","score":0.0066999997943639755,"subfield":{"id":"https://openalex.org/subfields/2210","display_name":"Mechanical Engineering"},"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/pressure-swing-adsorption","display_name":"Pressure swing adsorption","score":0.7932000160217285},{"id":"https://openalex.org/keywords/nonlinear-system","display_name":"Nonlinear system","score":0.582099974155426},{"id":"https://openalex.org/keywords/discretization","display_name":"Discretization","score":0.5184000134468079},{"id":"https://openalex.org/keywords/work","display_name":"Work (physics)","score":0.47760000824928284},{"id":"https://openalex.org/keywords/finite-volume-method","display_name":"Finite volume method","score":0.38670000433921814},{"id":"https://openalex.org/keywords/nitrogen","display_name":"Nitrogen","score":0.37290000915527344},{"id":"https://openalex.org/keywords/solver","display_name":"Solver","score":0.36719998717308044},{"id":"https://openalex.org/keywords/momentum","display_name":"Momentum (technical analysis)","score":0.3637999892234802},{"id":"https://openalex.org/keywords/air-separation","display_name":"Air separation","score":0.3628000020980835}],"concepts":[{"id":"https://openalex.org/C201416721","wikidata":"https://www.wikidata.org/wiki/Q1109526","display_name":"Pressure swing adsorption","level":3,"score":0.7932000160217285},{"id":"https://openalex.org/C158622935","wikidata":"https://www.wikidata.org/wiki/Q660848","display_name":"Nonlinear system","level":2,"score":0.582099974155426},{"id":"https://openalex.org/C73000952","wikidata":"https://www.wikidata.org/wiki/Q17007827","display_name":"Discretization","level":2,"score":0.5184000134468079},{"id":"https://openalex.org/C18762648","wikidata":"https://www.wikidata.org/wiki/Q42213","display_name":"Work (physics)","level":2,"score":0.47760000824928284},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.4625999927520752},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4575999975204468},{"id":"https://openalex.org/C50478463","wikidata":"https://www.wikidata.org/wiki/Q1401936","display_name":"Finite volume method","level":2,"score":0.38670000433921814},{"id":"https://openalex.org/C537208039","wikidata":"https://www.wikidata.org/wiki/Q627","display_name":"Nitrogen","level":2,"score":0.37290000915527344},{"id":"https://openalex.org/C2778770139","wikidata":"https://www.wikidata.org/wiki/Q1966904","display_name":"Solver","level":2,"score":0.36719998717308044},{"id":"https://openalex.org/C60718061","wikidata":"https://www.wikidata.org/wiki/Q1414747","display_name":"Momentum (technical analysis)","level":2,"score":0.3637999892234802},{"id":"https://openalex.org/C131929883","wikidata":"https://www.wikidata.org/wiki/Q3752515","display_name":"Air separation","level":3,"score":0.3628000020980835},{"id":"https://openalex.org/C94523830","wikidata":"https://www.wikidata.org/wiki/Q11203","display_name":"System of linear equations","level":2,"score":0.35760000348091125},{"id":"https://openalex.org/C131584629","wikidata":"https://www.wikidata.org/wiki/Q4308705","display_name":"Coupling (piping)","level":2,"score":0.3560999929904938},{"id":"https://openalex.org/C20556612","wikidata":"https://www.wikidata.org/wiki/Q4469374","display_name":"Volume (thermodynamics)","level":2,"score":0.3391999900341034},{"id":"https://openalex.org/C167343916","wikidata":"https://www.wikidata.org/wiki/Q6888384","display_name":"Modeling and simulation","level":2,"score":0.3375000059604645},{"id":"https://openalex.org/C68801617","wikidata":"https://www.wikidata.org/wiki/Q162908","display_name":"Electrolyte","level":3,"score":0.33379998803138733},{"id":"https://openalex.org/C512968161","wikidata":"https://www.wikidata.org/wiki/Q556","display_name":"Hydrogen","level":2,"score":0.33149999380111694},{"id":"https://openalex.org/C150394285","wikidata":"https://www.wikidata.org/wiki/Q180254","display_name":"Adsorption","level":2,"score":0.32690000534057617},{"id":"https://openalex.org/C28826006","wikidata":"https://www.wikidata.org/wiki/Q33521","display_name":"Applied mathematics","level":1,"score":0.3244999945163727},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.30809998512268066},{"id":"https://openalex.org/C9395851","wikidata":"https://www.wikidata.org/wiki/Q177929","display_name":"Stack (abstract data type)","level":2,"score":0.3066999912261963},{"id":"https://openalex.org/C12426560","wikidata":"https://www.wikidata.org/wiki/Q189569","display_name":"Basis (linear algebra)","level":2,"score":0.3034000098705292},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.29490000009536743},{"id":"https://openalex.org/C84507854","wikidata":"https://www.wikidata.org/wiki/Q952222","display_name":"Diagonally dominant matrix","level":3,"score":0.2874000072479248},{"id":"https://openalex.org/C200239111","wikidata":"https://www.wikidata.org/wiki/Q81809","display_name":"Atmospheric pressure","level":2,"score":0.2800999879837036},{"id":"https://openalex.org/C115527620","wikidata":"https://www.wikidata.org/wiki/Q769909","display_name":"Nonlinear programming","level":3,"score":0.2799000144004822},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.2782000005245209},{"id":"https://openalex.org/C21880701","wikidata":"https://www.wikidata.org/wiki/Q2144042","display_name":"Process engineering","level":1,"score":0.2759000062942505},{"id":"https://openalex.org/C140205800","wikidata":"https://www.wikidata.org/wiki/Q5860","display_name":"Carbon fibers","level":3,"score":0.2734000086784363},{"id":"https://openalex.org/C68463220","wikidata":"https://www.wikidata.org/wiki/Q27165","display_name":"Partial pressure","level":3,"score":0.27300000190734863},{"id":"https://openalex.org/C2781215313","wikidata":"https://www.wikidata.org/wiki/Q3493345","display_name":"SPARK (programming language)","level":2,"score":0.2667999863624573},{"id":"https://openalex.org/C168167062","wikidata":"https://www.wikidata.org/wiki/Q1117970","display_name":"Component (thermodynamics)","level":2,"score":0.2660999894142151}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.48550/arxiv.2604.09053","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2604.09053","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":null,"raw_source_name":null,"raw_type":"Preprint"}],"best_oa_location":{"id":"doi:10.48550/arxiv.2604.09053","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2604.09053","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Preprint"},"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":[],"abstract_inverted_index":{"Power-to-ammonia":[0],"(P2A)":[1],"provides":[2],"a":[3,31,63,69,160],"carbon-free":[4],"alternative":[5,33],"to":[6,34],"conventional":[7],"ammonia":[8],"production":[9],"by":[10],"replacing":[11],"fossil-based":[12],"feedstocks":[13],"with":[14,76,89,138],"electrolytic":[15],"hydrogen":[16],"and":[17,45,86,118,141,169,176,188,200],"nitrogen":[18,73,186],"from":[19],"air":[20,36,165],"separation.":[21,37],"For":[22],"decentralized":[23],"P2A":[24],"systems,":[25],"pressure":[26],"swing":[27],"adsorption":[28,92],"(PSA)":[29],"offers":[30],"flexible":[32],"cryogenic":[35],"However,":[38],"its":[39,52],"industrial":[40],"implementations":[41],"are":[42,56,123],"largely":[43],"proprietary,":[44],"open,":[46],"first-principles":[47],"models":[48],"capable":[49],"of":[50,68,80,100,149,179],"simulating":[51],"cyclic,":[53],"nonlinear":[54,153],"transport":[55],"scarce":[57],"in":[58,133],"literature.":[59],"This":[60],"work":[61],"presents":[62],"first-principles,":[64],"dynamic,":[65],"one-dimensional":[66],"model":[67],"PSA":[70,162,198],"superstructure":[71],"for":[72,146,164,197],"generation,":[74],"formulated":[75],"thermodynamically":[77],"consistent":[78],"equations":[79,103],"state,":[81],"coupling":[82],"multicomponent":[83],"mass,":[84],"energy,":[85],"momentum":[87],"balances":[88],"kinetically":[90],"limited":[91],"on":[93,159,184],"carbon":[94],"molecular":[95],"sieves.":[96],"The":[97,129,155,190],"resulting":[98],"system":[99],"partial":[101],"differential-algebraic":[102],"(PDAEs)":[104],"is":[105,131,157],"semi-discretized":[106],"using":[107,113],"the":[108,150,177],"finite":[109],"volume":[110],"method,":[111],"integrated":[112],"diagonally":[114],"implicit":[115],"Runge-Kutta":[116],"methods,":[117,175],"cyclic":[119],"steady":[120],"states":[121],"(CSS)":[122],"computed":[124],"via":[125],"shooting-based":[126],"solution":[127,148,174],"methods.":[128],"framework":[130,156,192],"implemented":[132],"Julia,":[134],"combining":[135],"analytical":[136],"derivatives":[137],"automatic":[139],"differentiation":[140],"utilizing":[142],"sparse":[143],"linear":[144],"algebra":[145],"efficient":[147],"arising":[151],"large":[152],"systems.":[154],"demonstrated":[158],"two-bed":[161],"cycle":[163],"separation,":[166],"comparing":[167],"spatial":[168],"temporal":[170],"discretization":[171],"strategies,":[172],"CSS":[173],"effects":[178],"ideal":[180],"versus":[181],"real-gas":[182],"thermodynamics":[183],"predicted":[185],"purity":[187],"recovery.":[189],"proposed":[191],"establishes":[193],"an":[194],"extensible":[195],"basis":[196],"simulation":[199],"optimization.":[201]},"counts_by_year":[],"updated_date":"2026-07-28T07:46:37.118299","created_date":"2026-04-14T00:00:00"}
