{"id":"https://openalex.org/W7161832946","doi":"https://doi.org/10.51583/ijltemas.2026.150400113","title":"From Molecules to Manifolds: A Statistical Field-Theoretic Framework for Solubility Bridging Quantum Chemistry and Macroscopic Thermodynamics","display_name":"From Molecules to Manifolds: A Statistical Field-Theoretic Framework for Solubility Bridging Quantum Chemistry and Macroscopic Thermodynamics","publication_year":2026,"publication_date":"2026-05-20","ids":{"openalex":"https://openalex.org/W7161832946","doi":"https://doi.org/10.51583/ijltemas.2026.150400113"},"language":"en","primary_location":{"id":"doi:10.51583/ijltemas.2026.150400113","doi":"https://doi.org/10.51583/ijltemas.2026.150400113","is_oa":true,"landing_page_url":"https://doi.org/10.51583/ijltemas.2026.150400113","pdf_url":null,"source":{"id":"https://openalex.org/S4210212248","display_name":"International Journal of Latest Technology in Engineering Management & Applied Science","issn_l":"2278-2540","issn":["2278-2540"],"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":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"International Journal of Latest Technology in Engineering Management & Applied Science","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://doi.org/10.51583/ijltemas.2026.150400113","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5136533992","display_name":"Swapan Samanta","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Swapan Samanta","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":["https://openalex.org/A5136533992"],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.21048699,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"15","issue":"4","first_page":"1320","last_page":"1333"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11881","display_name":"Crystallization and Solubility Studies","score":0.4717000126838684,"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"}},"topics":[{"id":"https://openalex.org/T11881","display_name":"Crystallization and Solubility Studies","score":0.4717000126838684,"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/T10402","display_name":"Phase Equilibria and Thermodynamics","score":0.44530001282691956,"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/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.02459999918937683,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical 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/solubility","display_name":"solubility","score":0.9290000200271606},{"id":"https://openalex.org/keywords/statistical-field-theory","display_name":"statistical field theory","score":0.875},{"id":"https://openalex.org/keywords/ginzburg-landau-free-energy","display_name":"Ginzburg-Landau free energy","score":0.8529999852180481},{"id":"https://openalex.org/keywords/henderson-hasselbalch-equation","display_name":"Henderson-Hasselbalch equation","score":0.765999972820282},{"id":"https://openalex.org/keywords/ph-dependence","display_name":"pH dependence","score":0.5960000157356262},{"id":"https://openalex.org/keywords/ionic-strength","display_name":"ionic strength","score":0.875},{"id":"https://openalex.org/keywords/critical-phenomena","display_name":"critical phenomena","score":0.6029999852180481},{"id":"https://openalex.org/keywords/scaling-collapse","display_name":"scaling collapse","score":0.5789999961853027},{"id":"https://openalex.org/keywords/aspirin","display_name":"aspirin","score":0.8019999861717224},{"id":"https://openalex.org/keywords/ibuprofen","display_name":"ibuprofen","score":0.9940000176429749},{"id":"https://openalex.org/keywords/naproxen","display_name":"naproxen","score":1.0},{"id":"https://openalex.org/keywords/debye-shielding","display_name":"Debye screening","score":0.8759999871253967},{"id":"https://openalex.org/keywords/cosmo-rs","display_name":"COSMO-RS","score":0.8930000066757202},{"id":"https://openalex.org/keywords/unifac","display_name":"UNIFAC","score":0.9990000128746033},{"id":"https://openalex.org/keywords/partition-function","display_name":"partition function","score":0.7879999876022339},{"id":"https://openalex.org/keywords/time-dependent-ginzburg-landau-theory","display_name":"time-dependent Ginzburg-Landau theory","score":0.9480000138282776},{"id":"https://openalex.org/keywords/drug-solubility-prediction","display_name":"drug solubility prediction","score":0.5199999809265137}],"concepts":[{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.5335999727249146},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.46470001339912415},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.46389999985694885},{"id":"https://openalex.org/C155574463","wikidata":"https://www.wikidata.org/wiki/Q170731","display_name":"Solubility","level":2,"score":0.4510999917984009},{"id":"https://openalex.org/C177731217","wikidata":"https://www.wikidata.org/wiki/Q2622244","display_name":"Mesoscopic physics","level":2,"score":0.44690001010894775},{"id":"https://openalex.org/C183992945","wikidata":"https://www.wikidata.org/wiki/Q2495574","display_name":"Universality (dynamical systems)","level":2,"score":0.4065999984741211},{"id":"https://openalex.org/C177774035","wikidata":"https://www.wikidata.org/wiki/Q1246948","display_name":"Granularity","level":2,"score":0.4059000015258789},{"id":"https://openalex.org/C148093993","wikidata":"https://www.wikidata.org/wiki/Q739398","display_name":"Solvation","level":3,"score":0.4050999879837036},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.38690000772476196},{"id":"https://openalex.org/C166950319","wikidata":"https://www.wikidata.org/wiki/Q245031","display_name":"Intermolecular force","level":3,"score":0.384799987077713},{"id":"https://openalex.org/C51329190","wikidata":"https://www.wikidata.org/wiki/Q1076349","display_name":"Ising model","level":2,"score":0.35910001397132874},{"id":"https://openalex.org/C9136319","wikidata":"https://www.wikidata.org/wiki/Q362640","display_name":"Covariant transformation","level":2,"score":0.35899999737739563},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.3578000068664551},{"id":"https://openalex.org/C48372109","wikidata":"https://www.wikidata.org/wiki/Q3913","display_name":"Binary number","level":2,"score":0.33649998903274536},{"id":"https://openalex.org/C99844830","wikidata":"https://www.wikidata.org/wiki/Q102441924","display_name":"Scaling","level":2,"score":0.33070001006126404},{"id":"https://openalex.org/C2775973084","wikidata":"https://www.wikidata.org/wiki/Q17007937","display_name":"COSMO-RS","level":4,"score":0.31790000200271606},{"id":"https://openalex.org/C130787639","wikidata":"https://www.wikidata.org/wiki/Q5645293","display_name":"Hamiltonian (control theory)","level":2,"score":0.28360000252723694},{"id":"https://openalex.org/C99874945","wikidata":"https://www.wikidata.org/wiki/Q188715","display_name":"Statistical mechanics","level":2,"score":0.2687000036239624},{"id":"https://openalex.org/C74859849","wikidata":"https://www.wikidata.org/wiki/Q2466686","display_name":"Non-equilibrium thermodynamics","level":2,"score":0.26759999990463257},{"id":"https://openalex.org/C84114770","wikidata":"https://www.wikidata.org/wiki/Q46344","display_name":"Quantum","level":2,"score":0.2655999958515167},{"id":"https://openalex.org/C2781442258","wikidata":"https://www.wikidata.org/wiki/Q46310","display_name":"Ab initio","level":2,"score":0.2646999955177307},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.2581000030040741},{"id":"https://openalex.org/C9652623","wikidata":"https://www.wikidata.org/wiki/Q190109","display_name":"Field (mathematics)","level":2,"score":0.2563999891281128},{"id":"https://openalex.org/C33332235","wikidata":"https://www.wikidata.org/wiki/Q18362","display_name":"Theoretical physics","level":1,"score":0.2558000087738037}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.51583/ijltemas.2026.150400113","doi":"https://doi.org/10.51583/ijltemas.2026.150400113","is_oa":true,"landing_page_url":"https://doi.org/10.51583/ijltemas.2026.150400113","pdf_url":null,"source":{"id":"https://openalex.org/S4210212248","display_name":"International Journal of Latest Technology in Engineering Management & Applied Science","issn_l":"2278-2540","issn":["2278-2540"],"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":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"International Journal of Latest Technology in Engineering Management & Applied Science","raw_type":"journal-article"}],"best_oa_location":{"id":"doi:10.51583/ijltemas.2026.150400113","doi":"https://doi.org/10.51583/ijltemas.2026.150400113","is_oa":true,"landing_page_url":"https://doi.org/10.51583/ijltemas.2026.150400113","pdf_url":null,"source":{"id":"https://openalex.org/S4210212248","display_name":"International Journal of Latest Technology in Engineering Management & Applied Science","issn_l":"2278-2540","issn":["2278-2540"],"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":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"International Journal of Latest Technology in Engineering Management & Applied Science","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":35,"referenced_works":["https://openalex.org/W1553535237","https://openalex.org/W1563060612","https://openalex.org/W1597171048","https://openalex.org/W1621145279","https://openalex.org/W1964387479","https://openalex.org/W1966441552","https://openalex.org/W1976883040","https://openalex.org/W1985459475","https://openalex.org/W1990157709","https://openalex.org/W1998236996","https://openalex.org/W1998561593","https://openalex.org/W2006881137","https://openalex.org/W2011215428","https://openalex.org/W2018259456","https://openalex.org/W2020375551","https://openalex.org/W2026467865","https://openalex.org/W2029942592","https://openalex.org/W2039263963","https://openalex.org/W2046528357","https://openalex.org/W2055563809","https://openalex.org/W2072398524","https://openalex.org/W2079216472","https://openalex.org/W2148841303","https://openalex.org/W2162676140","https://openalex.org/W2246296081","https://openalex.org/W2405991743","https://openalex.org/W2485283686","https://openalex.org/W2901995873","https://openalex.org/W2992726982","https://openalex.org/W3003262276","https://openalex.org/W3174658623","https://openalex.org/W4229632203","https://openalex.org/W4229963412","https://openalex.org/W4232098568","https://openalex.org/W4256232987"],"related_works":["https://openalex.org/W6912152762","https://openalex.org/W26265244","https://openalex.org/W1993996889","https://openalex.org/W2058091737","https://openalex.org/W4297493286","https://openalex.org/W2084163729","https://openalex.org/W2076630051","https://openalex.org/W7143479771","https://openalex.org/W4412712356","https://openalex.org/W2056905375"],"abstract_inverted_index":{"When":[0],"a":[1,29,40,52,57,63,96,121,236],"single":[2,24],"aspirin":[3],"molecule":[4],"dissolves":[5],"in":[6,51,74,173],"water,":[7],"roughly":[8],"1022":[9],"surrounding":[10],"water":[11],"molecules":[12],"must":[13],"rearrange":[14],"themselves.":[15],"How":[16],"does":[17],"that":[18,36,44,129,176],"invisible":[19],"molecular":[20],"choreography":[21],"produce":[22],"the":[23,143,190,229,261],"solubility":[25,58,73,130],"number":[26],"printed":[27],"on":[28],"pharmaceutical":[30],"data":[31],"sheet?":[32],"This":[33,233],"paper":[34],"answers":[35],"question":[37],"by":[38,104],"constructing":[39],"statistical":[41],"field-theoretic":[42],"framework":[43,117],"bridges":[45],"quantum-chemical":[46,245],"detail":[47],"and":[48,77,86,111,158,184,214,221,254],"macroscopic":[49,72],"thermodynamics":[50],"principled":[53],"way.":[54],"We":[55,193],"define":[56],"field":[59,94,202],"\u03c6(r,":[60],"x)":[61],"\u2014":[62,119,128,218,223],"coarse-grained":[64],"order":[65],"parameter":[66],"whose":[67,78,100],"uniform":[68],"saddle-point":[69],"value":[70],"equals":[71],"well-mixed":[75],"systems,":[76],"spatial":[79],"variations":[80],"encode":[81],"mesoscopic":[82],"heterogeneity":[83],"near":[84,154],"interfaces":[85],"critical":[87,134],"points.":[88],"The":[89,116],"equilibrium":[90],"configuration":[91],"of":[92,182],"this":[93],"minimises":[95],"Landau\u2013Ginzburg":[97],"free-energy":[98],"functional":[99],"coefficients":[101,243],"are":[102],"constrained":[103],"established":[105,126],"limiting":[106],"laws:":[107],"Henderson\u2013Hasselbalch":[108],"for":[109,113,240,259],"pH-dependence":[110],"Debye\u2013H\u00fcckel":[112],"ionic-strength":[114],"effects.":[115],"proposes":[118],"as":[120,142,198,225],"testable":[122],"prediction,":[123],"not":[124],"an":[125,199],"fact":[127],"can":[131],"exhibit":[132],"universal":[133],"features":[135],"under":[136],"specific":[137],"symmetry-breaking":[138],"conditions.":[139],"Aspirin":[140],"serves":[141],"primary":[144],"working":[145],"example,":[146],"yielding":[147],"crossover":[148],"behaviour":[149],"with":[150,163,170],"\u03b2":[151],"\u2248":[152,160],"0.48":[153],"pKa":[155],"(mean-field":[156],"regime)":[157],"\u03bd":[159],"0.61":[161],"(consistent":[162],"3D":[164],"Ising":[165],"universality":[166,191],"at":[167],"longer":[168],"scales),":[169],"15%":[171],"scatter":[172],"scaling":[174],"collapse":[175],"motivates":[177],"further":[178],"study.":[179],"Preliminary":[180],"analyses":[181],"ibuprofen":[183],"naproxen":[185],"show":[186],"compatible":[187],"scaling,":[188],"strengthening":[189],"claim.":[192],"clarify":[194],"why":[195,206],"pH":[196],"functions":[197],"effective":[200],"conjugate":[201],"through":[203],"ionisation":[204],"equilibrium,":[205],"Debye":[207],"screening":[208],"renders":[209],"Coulomb":[210],"interactions":[211],"effectively":[212],"short-range,":[213],"how":[215],"existing":[216],"models":[217],"COSMO-RS,":[219],"SMx,":[220],"UNIFAC":[222],"emerge":[224],"successive":[226],"approximations":[227],"to":[228],"exact":[230],"partition":[231],"function.":[232],"revision":[234],"adds":[235],"concrete":[237],"computational":[238],"protocol":[239],"extracting":[241],"Landau":[242],"from":[244],"calculations,":[246],"discusses":[247],"kinetic":[248],"extensions":[249],"via":[250],"time-dependent":[251],"Ginzburg\u2013Landau":[252],"theory,":[253],"provides":[255],"detailed":[256],"experimental":[257],"guidance":[258],"validating":[260],"framework\u2019s":[262],"predictions.":[263]},"counts_by_year":[],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2026-05-21T00:00:00"}