{"id":"https://openalex.org/W4409986157","doi":"https://doi.org/10.1109/tase.2025.3564637","title":"Toward Digital Twins for Power-to-X Processes: Comparing Surrogate Models for a Catalytic CO <sub>2</sub> Methanation Reactor","display_name":"Toward Digital Twins for Power-to-X Processes: Comparing Surrogate Models for a Catalytic CO <sub>2</sub> Methanation Reactor","publication_year":2025,"publication_date":"2025-04-30","ids":{"openalex":"https://openalex.org/W4409986157","doi":"https://doi.org/10.1109/tase.2025.3564637"},"language":"en","primary_location":{"id":"doi:10.1109/tase.2025.3564637","is_oa":false,"landing_page_url":"https://doi.org/10.1109/tase.2025.3564637","pdf_url":null,"source":{"id":"https://openalex.org/S34881539","display_name":"IEEE Transactions on Automation Science and Engineering","issn_l":"1545-5955","issn":["1545-5955","1558-3783"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319808","host_organization_name":"Institute of Electrical and Electronics Engineers","host_organization_lineage":["https://openalex.org/P4310319808"],"host_organization_lineage_names":["Institute of Electrical and Electronics Engineers"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"IEEE Transactions on Automation Science and Engineering","raw_type":"journal-article"},"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://hdl.handle.net/21.11116/0000-0010-6CD8-2","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5103093732","display_name":"Luisa Peterson","orcid":"https://orcid.org/0009-0006-0776-1517"},"institutions":[{"id":"https://openalex.org/I4210127568","display_name":"Max Planck Institute for Dynamics of Complex Technical Systems","ror":"https://ror.org/030h7k016","country_code":"DE","type":"facility","lineage":["https://openalex.org/I149899117","https://openalex.org/I4210127568"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Luisa Peterson","raw_affiliation_strings":["Process Systems Engineering (PSE) Group, Max Planck Institute for Dynamics of Complex Technical Systems, Magdeburg, Germany"],"raw_orcid":"https://orcid.org/0009-0006-0776-1517","affiliations":[{"raw_affiliation_string":"Process Systems Engineering (PSE) Group, Max Planck Institute for Dynamics of Complex Technical Systems, Magdeburg, Germany","institution_ids":["https://openalex.org/I4210127568"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5102776466","display_name":"Ali Forootani","orcid":"https://orcid.org/0000-0002-2688-9560"},"institutions":[{"id":"https://openalex.org/I4210127568","display_name":"Max Planck Institute for Dynamics of Complex Technical Systems","ror":"https://ror.org/030h7k016","country_code":"DE","type":"facility","lineage":["https://openalex.org/I149899117","https://openalex.org/I4210127568"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Ali Forootani","raw_affiliation_strings":["Computational Methods in Systems and Control Theory (CSC) Group, Max Planck Institute for Dynamics of Complex Technical Systems, Magdeburg, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Computational Methods in Systems and Control Theory (CSC) Group, Max Planck Institute for Dynamics of Complex Technical Systems, Magdeburg, Germany","institution_ids":["https://openalex.org/I4210127568"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5065327460","display_name":"Edgar Iv\u00e1n S\u00e1nchez Medina","orcid":"https://orcid.org/0000-0001-5413-2795"},"institutions":[{"id":"https://openalex.org/I4210127568","display_name":"Max Planck Institute for Dynamics of Complex Technical Systems","ror":"https://ror.org/030h7k016","country_code":"DE","type":"facility","lineage":["https://openalex.org/I149899117","https://openalex.org/I4210127568"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Edgar Ivan Sanchez Medina","raw_affiliation_strings":["Process Systems Engineering (PSE) Group, Max Planck Institute for Dynamics of Complex Technical Systems, Magdeburg, Germany"],"raw_orcid":"https://orcid.org/0000-0001-5413-2795","affiliations":[{"raw_affiliation_string":"Process Systems Engineering (PSE) Group, Max Planck Institute for Dynamics of Complex Technical Systems, Magdeburg, Germany","institution_ids":["https://openalex.org/I4210127568"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5004669880","display_name":"Ion Victor Gosea","orcid":"https://orcid.org/0000-0003-3580-4116"},"institutions":[{"id":"https://openalex.org/I4210127568","display_name":"Max Planck Institute for Dynamics of Complex Technical Systems","ror":"https://ror.org/030h7k016","country_code":"DE","type":"facility","lineage":["https://openalex.org/I149899117","https://openalex.org/I4210127568"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Ion Victor Gosea","raw_affiliation_strings":["Computational Methods in Systems and Control Theory (CSC) Group, Max Planck Institute for Dynamics of Complex Technical Systems, Magdeburg, Germany"],"raw_orcid":"https://orcid.org/0000-0003-3580-4116","affiliations":[{"raw_affiliation_string":"Computational Methods in Systems and Control Theory (CSC) Group, Max Planck Institute for Dynamics of Complex Technical Systems, Magdeburg, Germany","institution_ids":["https://openalex.org/I4210127568"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Kai Sundmacher","orcid":null},"institutions":[{"id":"https://openalex.org/I4210127568","display_name":"Max Planck Institute for Dynamics of Complex Technical Systems","ror":"https://ror.org/030h7k016","country_code":"DE","type":"facility","lineage":["https://openalex.org/I149899117","https://openalex.org/I4210127568"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Kai Sundmacher","raw_affiliation_strings":["PSE Group, Max Planck Institute for Dynamics of Complex Technical Systems, Magdeburg, Germany","Process Systems Engineering (PSE) Group, Max Planck Institute for Dynamics of Complex Technical Systems, Magdeburg, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"PSE Group, Max Planck Institute for Dynamics of Complex Technical Systems, Magdeburg, Germany","institution_ids":["https://openalex.org/I4210127568"]},{"raw_affiliation_string":"Process Systems Engineering (PSE) Group, Max Planck Institute for Dynamics of Complex Technical Systems, Magdeburg, Germany","institution_ids":["https://openalex.org/I4210127568"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5060985095","display_name":"Peter Benner","orcid":"https://orcid.org/0000-0003-3362-4103"},"institutions":[{"id":"https://openalex.org/I4210127568","display_name":"Max Planck Institute for Dynamics of Complex Technical Systems","ror":"https://ror.org/030h7k016","country_code":"DE","type":"facility","lineage":["https://openalex.org/I149899117","https://openalex.org/I4210127568"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Peter Benner","raw_affiliation_strings":["CSC Group, Max Planck Institute for Dynamics of Complex Technical Systems, Magdeburg, Germany","Computational Methods in Systems and Control Theory (CSC) Group, Max Planck Institute for Dynamics of Complex Technical Systems, Magdeburg, Germany"],"raw_orcid":"https://orcid.org/0000-0003-3362-4103","affiliations":[{"raw_affiliation_string":"CSC Group, Max Planck Institute for Dynamics of Complex Technical Systems, Magdeburg, Germany","institution_ids":["https://openalex.org/I4210127568"]},{"raw_affiliation_string":"Computational Methods in Systems and Control Theory (CSC) Group, Max Planck Institute for Dynamics of Complex Technical Systems, Magdeburg, Germany","institution_ids":["https://openalex.org/I4210127568"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":6,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":1.0933,"has_fulltext":true,"cited_by_count":4,"citation_normalized_percentile":{"value":0.74643542,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":91,"max":99},"biblio":{"volume":"23","issue":null,"first_page":"3469","last_page":"3483"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11825","display_name":"Catalysis and Oxidation Reactions","score":0.9818999767303467,"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/T11825","display_name":"Catalysis and Oxidation Reactions","score":0.9818999767303467,"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/T11948","display_name":"Machine Learning in Materials Science","score":0.9736999869346619,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10192","display_name":"Catalytic Processes in Materials Science","score":0.9107999801635742,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/methanation","display_name":"Methanation","score":0.903592586517334},{"id":"https://openalex.org/keywords/catalysis","display_name":"Catalysis","score":0.6611223220825195},{"id":"https://openalex.org/keywords/power","display_name":"Power (physics)","score":0.5002255439758301},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.41403627395629883},{"id":"https://openalex.org/keywords/process-engineering","display_name":"Process engineering","score":0.3985442817211151},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.387945294380188},{"id":"https://openalex.org/keywords/nuclear-engineering","display_name":"Nuclear engineering","score":0.34981924295425415},{"id":"https://openalex.org/keywords/reliability-engineering","display_name":"Reliability engineering","score":0.3439369201660156},{"id":"https://openalex.org/keywords/thermodynamics","display_name":"Thermodynamics","score":0.2584744095802307},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.2524799704551697},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.21255698800086975},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.18980106711387634}],"concepts":[{"id":"https://openalex.org/C123703457","wikidata":"https://www.wikidata.org/wiki/Q905071","display_name":"Methanation","level":3,"score":0.903592586517334},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.6611223220825195},{"id":"https://openalex.org/C163258240","wikidata":"https://www.wikidata.org/wiki/Q25342","display_name":"Power (physics)","level":2,"score":0.5002255439758301},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.41403627395629883},{"id":"https://openalex.org/C21880701","wikidata":"https://www.wikidata.org/wiki/Q2144042","display_name":"Process engineering","level":1,"score":0.3985442817211151},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.387945294380188},{"id":"https://openalex.org/C116915560","wikidata":"https://www.wikidata.org/wiki/Q83504","display_name":"Nuclear engineering","level":1,"score":0.34981924295425415},{"id":"https://openalex.org/C200601418","wikidata":"https://www.wikidata.org/wiki/Q2193887","display_name":"Reliability engineering","level":1,"score":0.3439369201660156},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.2584744095802307},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.2524799704551697},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.21255698800086975},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.18980106711387634},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1109/tase.2025.3564637","is_oa":false,"landing_page_url":"https://doi.org/10.1109/tase.2025.3564637","pdf_url":null,"source":{"id":"https://openalex.org/S34881539","display_name":"IEEE Transactions on Automation Science and Engineering","issn_l":"1545-5955","issn":["1545-5955","1558-3783"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319808","host_organization_name":"Institute of Electrical and Electronics Engineers","host_organization_lineage":["https://openalex.org/P4310319808"],"host_organization_lineage_names":["Institute of Electrical and Electronics Engineers"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"IEEE Transactions on Automation Science and Engineering","raw_type":"journal-article"},{"id":"pmh:oai:pure.mpg.de:item_3629668","is_oa":true,"landing_page_url":"https://hdl.handle.net/21.11116/0000-0010-6CD8-2","pdf_url":null,"source":{"id":"https://openalex.org/S4306400654","display_name":"MPG.PuRe (Max Planck Society)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I149899117","host_organization_name":"Max Planck Society","host_organization_lineage":["https://openalex.org/I149899117"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"IEEE Transactions on Automation Science and Engineering","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":{"id":"pmh:oai:pure.mpg.de:item_3629668","is_oa":true,"landing_page_url":"https://hdl.handle.net/21.11116/0000-0010-6CD8-2","pdf_url":null,"source":{"id":"https://openalex.org/S4306400654","display_name":"MPG.PuRe (Max Planck Society)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I149899117","host_organization_name":"Max Planck Society","host_organization_lineage":["https://openalex.org/I149899117"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"IEEE Transactions on Automation Science and Engineering","raw_type":"info:eu-repo/semantics/article"},"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":64,"referenced_works":["https://openalex.org/W1565476017","https://openalex.org/W1935773568","https://openalex.org/W2040146655","https://openalex.org/W2075783780","https://openalex.org/W2090292347","https://openalex.org/W2137983211","https://openalex.org/W2239232218","https://openalex.org/W2254437089","https://openalex.org/W2332297685","https://openalex.org/W2511385502","https://openalex.org/W2525748878","https://openalex.org/W2626693943","https://openalex.org/W2744259153","https://openalex.org/W2885397520","https://openalex.org/W2887661471","https://openalex.org/W2899283552","https://openalex.org/W2907492528","https://openalex.org/W2907578745","https://openalex.org/W2949676527","https://openalex.org/W2951191580","https://openalex.org/W2963214893","https://openalex.org/W2964015378","https://openalex.org/W2964265215","https://openalex.org/W2977851294","https://openalex.org/W2979786244","https://openalex.org/W3013279290","https://openalex.org/W3015706362","https://openalex.org/W3024560045","https://openalex.org/W3034749137","https://openalex.org/W3088611441","https://openalex.org/W3111753405","https://openalex.org/W3126276691","https://openalex.org/W3128115457","https://openalex.org/W3153519416","https://openalex.org/W3161402363","https://openalex.org/W3162401020","https://openalex.org/W3164274965","https://openalex.org/W3167044325","https://openalex.org/W3171202467","https://openalex.org/W3197500030","https://openalex.org/W3198593672","https://openalex.org/W3205131575","https://openalex.org/W3212620193","https://openalex.org/W4210497946","https://openalex.org/W4211031915","https://openalex.org/W4221107806","https://openalex.org/W4224861609","https://openalex.org/W4304185466","https://openalex.org/W4311780061","https://openalex.org/W4362597630","https://openalex.org/W4363674610","https://openalex.org/W4368276354","https://openalex.org/W4385763767","https://openalex.org/W4388162976","https://openalex.org/W4388525302","https://openalex.org/W4392709391","https://openalex.org/W4400032186","https://openalex.org/W4403927068","https://openalex.org/W4404199716","https://openalex.org/W4404443239","https://openalex.org/W4408450219","https://openalex.org/W4409778690","https://openalex.org/W4414107825","https://openalex.org/W7108206904"],"related_works":["https://openalex.org/W2486249231","https://openalex.org/W3215992744","https://openalex.org/W2373016413","https://openalex.org/W2394108268","https://openalex.org/W2358088486","https://openalex.org/W2380614393","https://openalex.org/W3161928034","https://openalex.org/W2031233179","https://openalex.org/W2364128031","https://openalex.org/W2006135222"],"abstract_inverted_index":{"Power-to-X":[0],"processes":[1,22],"convert":[2],"excess":[3],"renewable":[4,164],"energy":[5,14,30,165],"into":[6],"storable":[7],"fuels":[8],"such":[9],"as":[10],"methane,":[11],"addressing":[12],"critical":[13],"storage":[15],"and":[16,50,76,92,112,131,143,162],"transportation":[17],"challenges.":[18],"However,":[19,52],"implementing":[20],"these":[21],"presents":[23],"operational":[24],"difficulties,":[25],"particularly":[26],"in":[27,62],"managing":[28],"fluctuating":[29],"inputs.":[31],"Digital":[32,160],"Twins,":[33,161],"or":[34],"virtual":[35],"replicas":[36],"of":[37,78,84,133,159],"physical":[38],"systems,":[39,155],"offer":[40],"a":[41,101,134],"promising":[42],"solution":[43],"by":[44],"enabling":[45],"model-based":[46],"strategies":[47],"for":[48,69,96,123],"optimization":[49],"control.":[51],"traditional":[53],"mechanistic":[54],"models":[55,71,151],"are":[56,73,121],"computationally":[57,74],"intensive,":[58],"limiting":[59],"their":[60,124,141],"application":[61],"real-time":[63],"scenarios.":[64],"This":[65],"highlights":[66],"the":[67,81,128,157],"need":[68],"surrogate":[70,150],"that":[72],"efficient":[75],"capable":[77],"accurately":[79],"capturing":[80],"essential":[82],"dynamics":[83],"complex":[85],"systems.":[86],"In":[87],"this":[88],"study,":[89],"we":[90,146],"evaluate":[91],"compare":[93],"advanced":[94],"techniques":[95],"modeling":[97],"spatio-temporal":[98,154],"processes,":[99],"including":[100],"graph":[102],"attention":[103],"network":[104],"(GAT),":[105],"operator":[106],"inference":[107],"(OpInf)":[108],"with":[109,115],"stability":[110],"guarantees,":[111],"sparse":[113],"identification":[114],"greedy":[116],"sampling":[117],"(GN-SINDy).":[118],"These":[119],"methods":[120],"evaluated":[122],"ability":[125],"to":[126,148,153],"model":[127],"dynamic":[129],"operation":[130],"control":[132],"catalytic":[135],"CO2":[136],"methanation":[137],"reactor.":[138],"By":[139],"evaluating":[140],"accuracy":[142],"computational":[144],"efficiency,":[145],"aim":[147],"identify":[149],"tailored":[152],"advance":[156],"development":[158],"improve":[163],"conversion.":[166]},"counts_by_year":[{"year":2026,"cited_by_count":3},{"year":2025,"cited_by_count":1}],"updated_date":"2026-06-11T09:08:48.828518","created_date":"2025-10-10T00:00:00"}