{"id":"https://openalex.org/W7223090802","doi":"https://doi.org/10.26434/chemrxiv-2025-flnl2/v2","title":"Sterically Shielded Cations Decouple Ion-Exchange Capacity from Water Uptake in Anion Exchange Membranes","display_name":"Sterically Shielded Cations Decouple Ion-Exchange Capacity from Water Uptake in Anion Exchange Membranes","publication_year":2026,"publication_date":"2026-10-21","ids":{"openalex":"https://openalex.org/W7223090802","doi":"https://doi.org/10.26434/chemrxiv-2025-flnl2/v2"},"language":"en","primary_location":{"id":"doi:10.26434/chemrxiv-2025-flnl2/v2","doi":"https://doi.org/10.26434/chemrxiv-2025-flnl2/v2","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv-2025-flnl2/v2","pdf_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv-2025-flnl2/v2","source":{"id":"https://openalex.org/S4393918830","display_name":"ChemRxiv","issn_l":"2573-2293","issn":["2573-2293"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"},"volume":null,"type":"preprint","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv-2025-flnl2/v2","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5108089759","display_name":"Kaixin Wang","orcid":"https://orcid.org/0009-0000-6049-0310","observed_orcids":["https://orcid.org/0009-0000-6049-0310","https://orcid.org/0000-0002-6650-2850","https://orcid.org/0009-0002-5691-4277"]},"institutions":[{"id":"https://openalex.org/I223532165","display_name":"University of Utah","ror":"https://ror.org/03r0ha626","country_code":"US","type":"education","lineage":["https://openalex.org/I223532165"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Kaixin Wang","raw_affiliation_strings":["University of Utah"],"raw_orcid":"https://orcid.org/0009-0000-6049-0310","affiliations":[{"raw_affiliation_string":"University of Utah","institution_ids":["https://openalex.org/I223532165"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5085584463","display_name":"Shakkira Erimban","orcid":"https://orcid.org/0000-0001-7983-1592","observed_orcids":["https://orcid.org/0000-0001-7983-1592"]},"institutions":[{"id":"https://openalex.org/I223532165","display_name":"University of Utah","ror":"https://ror.org/03r0ha626","country_code":"US","type":"education","lineage":["https://openalex.org/I223532165"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Shakkira Erimban","raw_affiliation_strings":["University of Utah"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Utah","institution_ids":["https://openalex.org/I223532165"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5042292623","display_name":"Auston L. Clemens","orcid":"https://orcid.org/0000-0003-1939-169X","observed_orcids":["https://orcid.org/0000-0003-1939-169X"]},"institutions":[{"id":"https://openalex.org/I1282311441","display_name":"Lawrence Livermore National Laboratory","ror":"https://ror.org/041nk4h53","country_code":"US","type":"facility","lineage":["https://openalex.org/I1282311441","https://openalex.org/I1330989302","https://openalex.org/I198811213","https://openalex.org/I4210138311"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Auston Clemens","raw_affiliation_strings":["Lawrence Livermore National Laboratory"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Lawrence Livermore National Laboratory","institution_ids":["https://openalex.org/I1282311441"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5073683115","display_name":"James Spencer Oakdale","orcid":"https://orcid.org/0000-0003-4846-5379","observed_orcids":["https://orcid.org/0000-0003-4846-5379"]},"institutions":[{"id":"https://openalex.org/I1282311441","display_name":"Lawrence Livermore National Laboratory","ror":"https://ror.org/041nk4h53","country_code":"US","type":"facility","lineage":["https://openalex.org/I1282311441","https://openalex.org/I1330989302","https://openalex.org/I198811213","https://openalex.org/I4210138311"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"James Oakdale","raw_affiliation_strings":["Lawrence Livermore National Laboratory"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Lawrence Livermore National Laboratory","institution_ids":["https://openalex.org/I1282311441"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5023804735","display_name":"John Joseph Karnes","orcid":"https://orcid.org/0000-0002-2917-8406","observed_orcids":["https://orcid.org/0000-0002-2917-8406"]},"institutions":[{"id":"https://openalex.org/I1282311441","display_name":"Lawrence Livermore National Laboratory","ror":"https://ror.org/041nk4h53","country_code":"US","type":"facility","lineage":["https://openalex.org/I1282311441","https://openalex.org/I1330989302","https://openalex.org/I198811213","https://openalex.org/I4210138311"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"John Karnes","raw_affiliation_strings":["Lawrence Livermore National Laboratory"],"raw_orcid":"https://orcid.org/0000-0002-2917-8406","affiliations":[{"raw_affiliation_string":"Lawrence Livermore National Laboratory","institution_ids":["https://openalex.org/I1282311441"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5074139872","display_name":"Valeria Molinero","orcid":"https://orcid.org/0000-0002-8577-4675","observed_orcids":["https://orcid.org/0000-0002-8577-4675"]},"institutions":[{"id":"https://openalex.org/I223532165","display_name":"University of Utah","ror":"https://ror.org/03r0ha626","country_code":"US","type":"education","lineage":["https://openalex.org/I223532165"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Valeria Molinero","raw_affiliation_strings":["University of Utah"],"raw_orcid":"https://orcid.org/0000-0002-8577-4675","affiliations":[{"raw_affiliation_string":"University of Utah","institution_ids":["https://openalex.org/I223532165"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":true,"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/T10409","display_name":"Fuel Cells and Related Materials","score":0.9731000065803528,"subfield":{"id":"https://openalex.org/subfields/2208","display_name":"Electrical and Electronic Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10409","display_name":"Fuel Cells and Related Materials","score":0.9731000065803528,"subfield":{"id":"https://openalex.org/subfields/2208","display_name":"Electrical and Electronic 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/T12074","display_name":"Membrane-based Ion Separation Techniques","score":0.02239999920129776,"subfield":{"id":"https://openalex.org/subfields/2204","display_name":"Biomedical 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/T10281","display_name":"Advanced Battery Materials and Technologies","score":0.0006000000284984708,"subfield":{"id":"https://openalex.org/subfields/2208","display_name":"Electrical and Electronic 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/anion-exchange-membranes","display_name":"anion exchange membranes","score":1.0},{"id":"https://openalex.org/keywords/ion-exchange-capacity","display_name":"ion exchange capacity","score":0.8759999871253967},{"id":"https://openalex.org/keywords/water-uptake","display_name":"water absorption","score":0.8790000081062317},{"id":"https://openalex.org/keywords/steric-shielding","display_name":"steric shielding","score":0.7229999899864197},{"id":"https://openalex.org/keywords/hydration","display_name":"hydration","score":0.35600000619888306},{"id":"https://openalex.org/keywords/polyphenylene-oxide","display_name":"polyphenylene oxide","score":0.8040000200271606},{"id":"https://openalex.org/keywords/chloride-coordination","display_name":"chloride coordination","score":0.49399998784065247},{"id":"https://openalex.org/keywords/membrane-swelling","display_name":"membrane swelling","score":0.8489999771118164},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"molecular dynamics","score":0.4449999928474426}],"concepts":[{"id":"https://openalex.org/C201194858","wikidata":"https://www.wikidata.org/wiki/Q898238","display_name":"Steric effects","level":2,"score":0.8615000247955322},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.8440999984741211},{"id":"https://openalex.org/C41625074","wikidata":"https://www.wikidata.org/wiki/Q176088","display_name":"Membrane","level":2,"score":0.7343999743461609},{"id":"https://openalex.org/C183882617","wikidata":"https://www.wikidata.org/wiki/Q3046749","display_name":"Cationic polymerization","level":2,"score":0.6664000153541565},{"id":"https://openalex.org/C34814092","wikidata":"https://www.wikidata.org/wiki/Q2268418","display_name":"Counterion","level":3,"score":0.6176000237464905},{"id":"https://openalex.org/C2775896084","wikidata":"https://www.wikidata.org/wiki/Q425597","display_name":"Hydroxide","level":2,"score":0.5760999917984009},{"id":"https://openalex.org/C148093993","wikidata":"https://www.wikidata.org/wiki/Q739398","display_name":"Solvation","level":3,"score":0.5139999985694885},{"id":"https://openalex.org/C117760992","wikidata":"https://www.wikidata.org/wiki/Q389137","display_name":"Ion exchange","level":3,"score":0.45680001378059387},{"id":"https://openalex.org/C145148216","wikidata":"https://www.wikidata.org/wiki/Q36496","display_name":"Ion","level":2,"score":0.4535999894142151},{"id":"https://openalex.org/C179104552","wikidata":"https://www.wikidata.org/wiki/Q11165","display_name":"Inorganic chemistry","level":1,"score":0.4512999951839447},{"id":"https://openalex.org/C2778695967","wikidata":"https://www.wikidata.org/wiki/Q44791900","display_name":"Chloride","level":2,"score":0.3847000002861023},{"id":"https://openalex.org/C30095370","wikidata":"https://www.wikidata.org/wiki/Q899488","display_name":"Protonation","level":3,"score":0.3691999912261963},{"id":"https://openalex.org/C184651966","wikidata":"https://www.wikidata.org/wiki/Q906356","display_name":"Aqueous solution","level":2,"score":0.35760000348091125},{"id":"https://openalex.org/C149823470","wikidata":"https://www.wikidata.org/wiki/Q1088326","display_name":"Solvation shell","level":4,"score":0.353300005197525},{"id":"https://openalex.org/C52859227","wikidata":"https://www.wikidata.org/wiki/Q7877","display_name":"Electrochemistry","level":3,"score":0.3158999979496002},{"id":"https://openalex.org/C2776513212","wikidata":"https://www.wikidata.org/wiki/Q413592","display_name":"Hexamethylbenzene","level":3,"score":0.29899999499320984},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.29809999465942383},{"id":"https://openalex.org/C75473681","wikidata":"https://www.wikidata.org/wiki/Q188651","display_name":"Photochemistry","level":1,"score":0.27379998564720154},{"id":"https://openalex.org/C188027245","wikidata":"https://www.wikidata.org/wiki/Q750446","display_name":"Polymer chemistry","level":1,"score":0.2531000077724457},{"id":"https://openalex.org/C521977710","wikidata":"https://www.wikidata.org/wiki/Q81163","display_name":"Polymer","level":2,"score":0.25270000100135803},{"id":"https://openalex.org/C50670333","wikidata":"https://www.wikidata.org/wiki/Q907651","display_name":"Permeation","level":3,"score":0.25189998745918274}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.26434/chemrxiv-2025-flnl2/v2","doi":"https://doi.org/10.26434/chemrxiv-2025-flnl2/v2","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv-2025-flnl2/v2","pdf_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv-2025-flnl2/v2","source":{"id":"https://openalex.org/S4393918830","display_name":"ChemRxiv","issn_l":"2573-2293","issn":["2573-2293"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"}],"best_oa_location":{"id":"doi:10.26434/chemrxiv-2025-flnl2/v2","doi":"https://doi.org/10.26434/chemrxiv-2025-flnl2/v2","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv-2025-flnl2/v2","pdf_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv-2025-flnl2/v2","source":{"id":"https://openalex.org/S4393918830","display_name":"ChemRxiv","issn_l":"2573-2293","issn":["2573-2293"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G1356433355","display_name":null,"funder_award_id":"DE\u2010AC5207NA27344","funder_id":"https://openalex.org/F4320338286","funder_display_name":"Lawrence Livermore National Laboratory"},{"id":"https://openalex.org/G1375040959","display_name":null,"funder_award_id":"TC02455","funder_id":"https://openalex.org/F4320338286","funder_display_name":"Lawrence Livermore National Laboratory"},{"id":"https://openalex.org/G14554683","display_name":null,"funder_award_id":"DEAC5207NA27344","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G2145270357","display_name":null,"funder_award_id":"AC52\u201007NA27344","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G3084109318","display_name":null,"funder_award_id":"DE-AC52-07NA27344","funder_id":"https://openalex.org/F4320332360","funder_display_name":"Office of Energy Efficiency and Renewable Energy"},{"id":"https://openalex.org/G3669113783","display_name":null,"funder_award_id":"07NA27344","funder_id":"https://openalex.org/F4320338286","funder_display_name":"Lawrence Livermore National Laboratory"},{"id":"https://openalex.org/G4744444288","display_name":null,"funder_award_id":"DE- AC52-07NA27344","funder_id":"https://openalex.org/F4320337547","funder_display_name":"Laboratory Directed Research and Development"},{"id":"https://openalex.org/G5630301777","display_name":null,"funder_award_id":"AC52-07NA27344","funder_id":"https://openalex.org/F4320337547","funder_display_name":"Laboratory Directed Research and Development"},{"id":"https://openalex.org/G5820565028","display_name":null,"funder_award_id":"DE-FOA-0002804","funder_id":"https://openalex.org/F4320338286","funder_display_name":"Lawrence Livermore National Laboratory"},{"id":"https://openalex.org/G6303465236","display_name":null,"funder_award_id":"21-ERD-013","funder_id":"https://openalex.org/F4320338286","funder_display_name":"Lawrence Livermore National Laboratory"},{"id":"https://openalex.org/G7189738989","display_name":null,"funder_award_id":"21-ERD-013","funder_id":"https://openalex.org/F4320337547","funder_display_name":"Laboratory Directed Research and Development"},{"id":"https://openalex.org/G895790057","display_name":null,"funder_award_id":"DE-AC52","funder_id":"https://openalex.org/F4320338286","funder_display_name":"Lawrence Livermore National Laboratory"},{"id":"https://openalex.org/G991281326","display_name":null,"funder_award_id":"AC52-07NA27344","funder_id":"https://openalex.org/F4320338286","funder_display_name":"Lawrence Livermore National Laboratory"}],"funders":[{"id":"https://openalex.org/F4320306084","display_name":"U.S. Department of Energy","ror":"https://ror.org/01bj3aw27"},{"id":"https://openalex.org/F4320324219","display_name":"Total","ror":"https://ror.org/04sk34n56"},{"id":"https://openalex.org/F4320332360","display_name":"Office of Energy Efficiency and Renewable Energy","ror":"https://ror.org/02xznz413"},{"id":"https://openalex.org/F4320334105","display_name":"Center for High Performance Computing","ror":"https://ror.org/021f4v087"},{"id":"https://openalex.org/F4320337547","display_name":"Laboratory Directed Research and Development","ror":"https://ror.org/01e41cf67"},{"id":"https://openalex.org/F4320338286","display_name":"Lawrence Livermore National Laboratory","ror":"https://ror.org/041nk4h53"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7223090802.pdf","grobid_xml":"https://content.openalex.org/works/W7223090802.grobid-xml"},"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W7116741860","https://openalex.org/W3093414542","https://openalex.org/W3165471581","https://openalex.org/W3102400154","https://openalex.org/W7168280219","https://openalex.org/W7204193507","https://openalex.org/W2923199113","https://openalex.org/W2810392529","https://openalex.org/W4409279993","https://openalex.org/W2999228805"],"abstract_inverted_index":{"Anion":[0],"exchange":[1],"membranes":[2,152],"(AEMs)":[3],"for":[4,135,221,233],"electrochemical":[5],"devices":[6],"must":[7],"combine":[8],"high":[9],"ion-exchange":[10],"capacity":[11],"(IEC)":[12],"with":[13,186,236],"controlled":[14,237],"hydration":[15,175,194,238],"and":[16,28,117,162,167,171,207,239],"dimensional":[17],"stability.":[18],"Water":[19],"uptake":[20],"is":[21,40],"commonly":[22],"rationalized":[23],"in":[24,127,138,184],"terms":[25],"of":[26,64,182,205],"IEC":[27,166],"intrinsic":[29,180],"cation":[30,87,126,133,143,225],"hydrophilicity,":[31],"but":[32],"this":[33],"picture":[34],"fails":[35],"when":[36],"the":[37,44,48,65,76,89,108,124,132,136,177,203,211],"cationic":[38],"site":[39],"locally":[41],"shielded":[42],"by":[43,69,115,120],"polymer":[45],"architecture.":[46],"Using":[47],"poly(bis-imidazolium)":[49],"ionene":[50],"Aemion+\u00ae":[51],"as":[52,88,217],"a":[53,103,192,218,229],"model":[54],"backbone-embedded":[55],"AEM,":[56],"we":[57,147],"find":[58,168],"that":[59,98,169],"it":[60],"absorbs":[61],"only":[62],"~40%":[63],"water":[66,113,206],"taken":[67],"up":[68],"pendant-cation":[70],"analogues":[71],"at":[72],"matched":[73,165],"IEC,":[74],"reversing":[75],"trend":[77],"expected":[78],"from":[79,145],"solution":[80],"thermodynamics,":[81],"which":[82],"identifies":[83],"its":[84],"embedded":[85,109],"dimethylimidazolium":[86,158],"more":[90],"hydrophilic":[91],"one.":[92],"All-atom":[93],"molecular":[94,230],"dynamics":[95],"simulations":[96],"reveal":[97],"adjacent":[99],"aromatic":[100],"rings":[101],"create":[102],"three-dimensional":[104],"steric":[105,200],"envelope":[106],"around":[107],"cation,":[110],"reducing":[111],"first-shell":[112],"coordination":[114,119],"69%":[116],"chloride":[118],"62%":[121],"relative":[122],"to":[123,131,209],"free":[125],"solution.":[128],"Restricted":[129],"access":[130],"persists":[134],"membrane":[137],"hydroxide":[139],"form.":[140],"To":[141],"separate":[142],"chemistry":[144],"architecture,":[146],"synthesize":[148],"poly(phenylene":[149],"oxide)":[150],"(PPO)":[151],"bearing":[153],"four":[154,188],"pendant":[155],"cations\u2014tetramethylammonium":[156],"(TMA),":[157],"(DMIm),":[159],"piperidinium":[160],"(Pip),":[161],"pyrrolidinium":[163],"(Mpy)\u2014at":[164],"PPO\u2013TMA":[170],"PPO\u2013DMIm":[172],"have":[173],"indistinguishable":[174],"despite":[176],"substantially":[178],"higher":[179],"hydrophilicity":[181],"DMIm\u207a":[183],"solution,":[185],"all":[187],"cations":[189],"falling":[190],"within":[191],"narrow":[193],"window.":[195],"These":[196],"results":[197],"establish":[198],"local":[199],"accessibility":[201,226],"\u2014":[202,216],"ability":[204],"counterions":[208],"occupy":[210],"cation's":[212],"first":[213],"solvation":[214],"shell":[215],"controlling":[219],"descriptor":[220],"AEM":[222],"hydration.":[223],"Engineering":[224],"therefore":[227],"offers":[228],"design":[231],"strategy":[232],"high-IEC":[234],"AEMs":[235],"swelling.":[240]},"counts_by_year":[],"updated_date":"2026-10-28T10:33:24.094632","created_date":"2026-10-22T00:00:00"}