https://m2.mtmt.hu/ hun 2026-10-25 19:02 JournalArticle 36372919 VALIDATED true This work was supported by the Laboratory Directed Research and Development program at Sandia National Laboratories, a multimission laboratory managed and operated by National Technology and Engineering Solutions of Sandia LLC, a wholly owned subsidiary of Honeywell International Inc. for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525. Álmos Orosz would like to express his gratitude to the University Research Scholarship Program (EKÖP) for their financial support throughout this research: the project no. IKT-2024-900-I1-00000836/0000008 has been implemented with the support provided by the Ministry of Culture and Innovation of Hungary from the National Research, Development and Innovation Fund, financed under the EKÖP-24-3-BME-29 funding scheme. 0 false 2026-09-24T14:49:07.113+0000 2025-12-29T06:11:26.330+0000 2025-10-09T16:04:17.845+0000 true 10083600 Orosz Álmos /api/author/10083600 Author true 2026-01-01T10:01:53.564+0000 2025-11-26T11:28:31.624+0000 true 10072271 Andódy Katalin /api/admin/10072271 Admin true 2025-12-29T06:11:26.305+0000 true 521 Szuper Admin /api/admin/521 Admin true true false true 24 24 /api/publicationtype/24 PublicationType 1 true 24 JournalArticle true 10000059 Article true 24 24 /api/publicationtype/24 PublicationType 1 true 24 JournalArticle /api/subtype/10000059 Szakcikk SubType 101 true 10000059 true 1 /api/category/1 Category true 1 Orosz, Álmos 2D population balance modeling and ML-based multi-objective optimization for the crystallization process of resveratrol true true /api/journal/185 REVIEWED true false 185 false 185 true 0001-1541 1547-5905 Journal FOREIGN 71 12 e70094 e70094 18 2025 Crystallization is critical in pharmaceutical manufacturing, influencing active pharmaceutical ingredient (API) purity and processability. This study models the cooling crystallization of resveratrol in a water‐ethanol solvent using a two‐dimensional population balance model (2D‐PBM). Experimental data from Focused Beam Reflectance Measurement (FBRM), UV/Vis spectroscopy, and microscopy supported model calibration via design of experiments. The well‐calibrated model enabled multi‐objective optimization (MOO) to (1) maximize yield and minimize batch time, and (2) explore the relationship between aspect ratio and median crystal size. While the first scenario showed minimal trade‐offs, the second revealed a balance between aspect ratio and size/yield. A hybrid approach combining mechanistic modeling with machine learning drastically accelerated simulations and enabled efficient prediction of Pareto‐optimal solutions. This integration offers a scalable and accurate optimization strategy for complex crystallization processes. true INTERNATIONAL 2025 true true true false true false GOLD 2026-09-24 true https://doi.org/10.1002/aic.70094 2 0 2 1 1 2 2 2 1 2 2 1 1 1 1 0 2 1 2 1 0 7 7 Folyóiratcikk Journal Article 24 2 Könyvrészlet Chapter in Book 25 0 Könyv Book 23 0 Egyéb konferenciaközlemény Conference paper 31 0 Egyéb konferenciakötet Conference proceedings 32 0 Oltalmi formák Protection forms 26 0 Disszertáció Thesis 28 0 Egyéb Miscellaneous 29 0 Alkotás Achievement 22 0 Kutatási adat Research data 33 0 Folyóiratcikk Journal Article 24 0 0 0 Könyvrészlet Chapter in Book 25 0 0 0 Könyv Book 23 0 0 0 Egyéb konferenciaközlemény Conference paper 31 0 0 0 Egyéb konferenciakötet Conference proceedings 32 0 0 0 Oltalmi formák Protection forms 26 0 0 0 Disszertáció Thesis 28 0 0 0 Egyéb Miscellaneous 29 0 0 0 Alkotás Achievement 22 0 0 0 Kutatási adat Research data 33 0 0 0 2026 0 2 1 2 1 Q1 false false false false 2025-10-13T14:26:48.132+0000 Kémiai és Környezeti Folyamatmérnöki Tanszék (BME / VBK) 2 6 1 6 0 true Language 10002 /api/language/10002 Angol English true 2 true PersonAuthorship 128060067 /api/authorship/128060067 1 0.167 true false false Author 10083600 /api/author/10083600 Orosz Álmos true true Orosz Álmos true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 128060068 /api/authorship/128060068 2 0.16666667 false false false Neal Monika true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 128060069 /api/authorship/128060069 3 0.16666667 false false false Rao Rekha true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 128060070 /api/authorship/128060070 4 0.16666667 false false false Roberts Christine true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 128060071 /api/authorship/128060071 5 0.167 false false false Author 10044851 /api/author/10044851 Szilágyi Botond true 10044851 true Szilágyi Botond true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PersonAuthorship 128060072 /api/authorship/128060072 6 0.167 false true true Nagy Zoltán K. true false false AuthorshipType 1 /api/authorshiptype/1 0 true 0 true false true PublicationIdentifier 29977151 /api/publicationidentifier/29977151 PlainSource 6 /api/publicationsource/6 PublicationSourceType 10001 /api/publicationsourcetype/10001 true true true DOI DOI https://doi.org/@@@ true true 6 true GOLD true IDENTICAL 10.1002/aic.70094 https://doi.org/10.1002/aic.70094 false true PublicationIdentifier 30016338 /api/publicationidentifier/30016338 PlainSource 1 /api/publicationsource/1 PublicationSourceType 10003 /api/publicationsourcetype/10003 false true true WoS WoS https://www.webofscience.com/wos/woscc/full-record/@@@ true true 1 true IDENTICAL 001586224800001 https://www.webofscience.com/wos/woscc/full-record/001586224800001 false true PublicationIdentifier 30019155 /api/publicationidentifier/30019155 PlainSource 3 /api/publicationsource/3 PublicationSourceType 10003 /api/publicationsourcetype/10003 false true true Scopus Scopus http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-@@@ true true 3 true IDENTICAL 105018338915 http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-105018338915 false true PublicationIdentifier 29977152 /api/publicationidentifier/29977152 PlainSource 40 /api/publicationsource/40 PublicationSourceType 10006 /api/publicationsourcetype/10006 true true true Egyéb URL Other URL @@@ true true 40 true IDENTICAL https://aiche.onlinelibrary.wiley.com/doi/10.1002/aic.70094 https://aiche.onlinelibrary.wiley.com/doi/10.1002/aic.70094 false true SjrRating 11564366 /api/sjrrating/11564366 79 0.24 journal RatingType 10002 /api/ratingtype/10002 sjr true true ClassificationExternal 1501 /api/classificationexternal/1501 true 1501 true Q1 DIRECT true true Reference 68823918 /api/reference/68823918 1 10.1021/acs.cgd.8b00758 false true Reference 68823919 /api/reference/68823919 2 10.1021/acs.oprd.3c00373 false true Reference 68823920 /api/reference/68823920 3 10.1016/j.compchemeng.2019.106696 false true Reference 68823921 /api/reference/68823921 4 10.1016/S0009‐2509(03)00260‐4 false true Reference 68823922 /api/reference/68823922 5 10.1016/j.cej.2024.151149 false true Reference 68823923 /api/reference/68823923 6 10.1002/aic.18364 false true Reference 68823924 /api/reference/68823924 7 10.1016/j.jcp.2018.10.045 false true Reference 68823925 /api/reference/68823925 8 false true Reference 68823926 /api/reference/68823926 9 10.1021/acs.cgd.1c00308 false true Reference 68823927 /api/reference/68823927 10 false true Reference 68823928 /api/reference/68823928 11 10.1038/015492a0 false true Reference 68823929 /api/reference/68823929 12 10.1016/j.ces.2022.117700 false true Reference 68823930 /api/reference/68823930 13 false true Reference 68823905 /api/reference/68823905 14 10.1021/op100209c false true Reference 68823906 /api/reference/68823906 15 10.1021/acs.cgd.0c00716 false true Reference 68823907 /api/reference/68823907 16 10.1021/acs.cgd.0c00295 false true Reference 68823908 /api/reference/68823908 17 10.1016/B978‐0‐443‐28824‐1.50058‐2 false true Reference 68823909 /api/reference/68823909 18 10.1016/j.ces.2023.119688 false true Reference 68823910 /api/reference/68823910 19 10.1016/0009‐2509(64)85047‐8 false true Reference 68823911 /api/reference/68823911 20 10.1021/acs.iecr.3c03954 false true Reference 68823912 /api/reference/68823912 21 10.1016/B978‐0‐12‐579652‐1.50009‐0 false true Reference 68823913 /api/reference/68823913 22 10.1002/aic.690490517 false true Reference 68823914 /api/reference/68823914 23 10.1016/j.ces.2010.02.009 false true Reference 68823915 /api/reference/68823915 24 10.1002/aic.10228 false true Reference 68823916 /api/reference/68823916 25 10.1175/1520‐0469(1975)032&lt;1977:AEMFNS&gt;2.0.CO;2 false true Reference 68823917 /api/reference/68823917 26 10.1016/0009‐2509(96)88489‐2 false true Reference 68823931 /api/reference/68823931 27 10.1021/acs.iecr.7b00586 false true Reference 68823932 /api/reference/68823932 28 10.1007/978‐0‐85729‐652‐8_1 false true Reference 68823933 /api/reference/68823933 29 false true Reference 68823934 /api/reference/68823934 30 10.1145/3292500.3330701 false true Reference 68823935 /api/reference/68823935 31 10.1109/ACCESS.2020.2990567 false true /api/publication/36372919 <div class="JournalArticle Publication long-list"> <div class="authors"> <img title="Forrásközlemény" style="float: left" src="/frontend/resources/grid/publication-core-icon.png"> <img title="Idézőközlemény" style="float: left" src="/frontend/resources/grid/publication-citation-icon.png"> <div class="autype autype0"> <span class="author-name" mtid="10083600"><a href="/gui2/?type=authors&mode=browse&sel=10083600" target="_blank">Orosz Álmos (<span class="authorship-author-name">Orosz Álmos</span> <span class="authorAux-mtmt"> kristályosítás, populációmérleg modellezés</span>) </a> </span> <span class="author-affil"><span title="Budapesti Műszaki és Gazdaságtudományi Egyetem">BME</span>/<span title="Vegyészmérnöki és Biomérnöki Kar">VBK</span>/Kémiai és Környezeti Folyamatmérnöki Tanszék</span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Neal Monika </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Rao Rekha </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Roberts Christine </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" mtid="10044851"><a href="/gui2/?type=authors&mode=browse&sel=10044851" target="_blank">Szilágyi Botond (<span class="authorship-author-name">Szilágyi Botond</span> <span class="authorAux-mtmt"> Folyamatmérnök, vegyészmérnök</span>) </a> </span> <span class="author-affil"><span title="Budapesti Műszaki és Gazdaságtudományi Egyetem">BME</span>/<span title="Vegyészmérnöki és Biomérnöki Kar">VBK</span>/Kémiai és Környezeti Folyamatmérnöki Tanszék</span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" >Nagy Zoltán K. ✉ </span> </div> </div> <div class="title"><a href="/gui2/?mode=browse&params=publication;36372919" target="_blank">2D population balance modeling and ML-based multi-objective optimization for the crystallization process of resveratrol</a></div> <div> <span class="journal-title">AICHE JOURNAL</span> <span class="journal-issn">(<a target="_blank" href="https://portal.issn.org/resource/ISSN/0001-1541">0001-1541</a> <a target="_blank" href="https://portal.issn.org/resource/ISSN/1547-5905">1547-5905</a>)</span>: <span class="journal-volume">71</span> <span class="journal-issue">12</span> <span class="page"> Paper e70094. 18 p. </span> <span class="year">(2025)</span> </div> <div class="pub-footer"> <span class="language" xmlns="http://www.w3.org/1999/html">Nyelv: Angol | </span> <span class="identifiers"> <span class="id identifier oa_GOLD" title=" Gold "> <a style="color:blue" title="10.1002/aic.70094" target="_blank" href="https://doi.org/10.1002/aic.70094"> DOI </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="001586224800001" target="_blank" href="https://www.webofscience.com/wos/woscc/full-record/001586224800001"> WoS </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="105018338915" target="_blank" href="http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-105018338915"> Scopus </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="https://aiche.onlinelibrary.wiley.com/doi/10.1002/aic.70094" target="_blank" href="https://aiche.onlinelibrary.wiley.com/doi/10.1002/aic.70094"> Egyéb URL </a> </span> </span> <OnlyViewableByAuthor><div class="ratings"> <div class="journal-subject">Folyóirat szakterülete: Scopus - Chemical Engineering (miscellaneous)&nbsp;&nbsp;&nbsp;SJR indikátor:&nbsp;Q1</div> <div class="journal-subject">Folyóirat szakterülete: Scopus - Biotechnology&nbsp;&nbsp;&nbsp;SJR indikátor:&nbsp;Q2</div> <div class="journal-subject">Folyóirat szakterülete: Scopus - Environmental Engineering&nbsp;&nbsp;&nbsp;SJR indikátor:&nbsp;Q2</div> </div></OnlyViewableByAuthor> <div class="publication-citation" style="margin-left: 0.5cm;"> <span title="Nyilvános idézőközlemények összesen, említések nélkül" class="citingPub-count">Nyilvános idéző összesen: 2</span> | Független: 1 | Függő: 1 | Nem jelölt: 0 | WoS jelölt: 2 | Scopus jelölt:&nbsp;1 | WoS/Scopus jelölt:&nbsp;2 | DOI jelölt:&nbsp;2 </div> <div class="publication-citation"> <a target="_blank" href="/api/publication?cond=citations.related;eq;36372919&sort=publishedYear,desc&sort=title"> Idézett közlemények száma: 7 </a> </div> <div class="mtid"><span class="long-pub-mtid">Közlemény: 36372919</span> | <span class="status-data status-VALIDATED"> Egyeztetett </span> Forrás Idéző | <span class="type-subtype">Folyóiratcikk ( Szakcikk ) </span> | <span class="pub-category">Tudományos</span> | <span class="publication-sourceOfData">DOI XML</span> </div> <div class="lastModified">Utolsó módosítás: 2025.12.29. 07:11 Szuper Admin (admin) </div> <pre class="comment" style="margin-top: 0; margin-bottom: 0;"><u>Megjegyzés</u>: This work was supported by the Laboratory Directed Research and Development program at Sandia National Laboratories, a multimission laboratory managed and operated by National Technology and Engineering Solutions of Sandia LLC, a wholly owned subsidiary of Honeywell International Inc. for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525. Álmos...</pre> </div></div>