1. Python v kemiji in kemijskem inženirstvu : Učbenik za predmet Računalništvo v kemijiZorka Novak-Pintarič, Sanja Potrč, Miloš Bogataj, 2025 Abstract: Učbenik Python v kemiji in kemijskem inženirstvu je namenjen študentom prvega letnika, ki se prvič srečujejo z računalniškim programiranjem. Na preprost in sistematičen način uvaja bralca v osnovne pojme programskega okolja Python ter postopno prikazuje njegovo uporabo pri reševanju izbranih problemov iz kemije in kemijskega inženirstva. Poleg osnov programiranja prinaša uvodne primere uporabe sodobnih digitalnih pristopov, kot sta podatkovna analiza in umetna inteligenca, s čimer študentom odpira vpogled v sodobne trende kemijsko-inženirske stroke. Publikacija je zasnovana tako, da razvija praktične računalniške spretnosti ter spodbuja samostojno učenje in nadaljnje raziskovanje. Učbenik je objavljen kot odprto učno gradivo, kar študentom, učiteljem in strokovnjakom, ki jih zanima uporaba Pythona v kemiji in kemijskem inženirstvu, omogoča dolgoročno podporo pri študiju in delu.
Keywords: Python, kemija, kemijsko inženirstvo, programiranje, podatkovna analiza, učbenik
Published in DKUM: 04.11.2025; Views: 0; Downloads: 16
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2. Uvajanje metod strojnega učenja v študijske programe kemijskega inženirstva : magistrsko deloJure Šuster, 2025, master's thesis Abstract: V magistrskem delu so predstavljeni temeljni koncepti strojnega učenja in orodja za njihovo implementacijo, s posebnim poudarkom na praktičnem učenju z uporabo programskega jezika Python in njegovih uveljavljenih knjižnic, kot so NumPy, Pandas, Scikit-learn, Matplotlib, Keras in TensorFlow. Delo sistematično opisuje ključne faze razvoja modelov strojnega učenja, ki vključujejo pridobivanje in predobdelavo podatkov, izvedbo eksplorativne analize, uporabo različnih algoritmov za učenje ter vrednotenje njihove uspešnosti z ustreznimi metričnimi kazalci. V praktičnem delu so podrobneje prikazani trije primeri uporabe. Prvi primer obravnava napoved topnosti spojin, pri čemer je bil na osnovi javno dostopnega nabora podatkov razvit regresijski model za napoved kvantitativnih vrednosti. Drugi primer prikazuje uporabo klasifikacijskega modela za razvrščanje podatkov, pri čemer je bil poseben poudarek namenjen vrednotenju uspešnosti modela z različnimi metrikami. Tretji primer vključuje učenje večplastne nevronske mreže na znanem podatkovnem naboru ročno napisanih številk MNIST in ilustrira celoten proces – od priprave podatkov, nastavitve arhitekture modela, učenja modela, do vizualizacije in interpretacije rezultatov. Rezultati teh primerov potrjujejo, da je strojno učenje mogoče učinkovito približati študentom kemijskega inženirstva s kombinacijo teoretičnih osnov in praktičnih vaj, kar pomembno prispeva k njihovi boljši usposobljenosti za izzive sodobne industrije.
Keywords: strojno učenje, kemijsko procesno inženirstvo, nevronske mreže, regresija, klasifikacija
Published in DKUM: 30.10.2025; Views: 0; Downloads: 11
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3. Uporaba računalniške dinamike tekočin za simulacijo različnih pretokov v mikroreaktorjihDomen Kočevar, 2025, undergraduate thesis Abstract: Diplomsko delo prikazuje uporabo računalniške dinamike tekočin (CFD) za simulacijo različnih tokovnih režimov v mikroreaktorju z uporabo programske opreme COMSOL Multiphysics. Osredotočamo se na vpliv različnih tokov na obnašanje vode v mikrokanalu z značilnim zavojem, ki je ključni del mnogih mikrofluidnih sistemov.
Z uporabo modula Fluid Flow v COMSOL Multiphysics programu smo izvedli več simulacijskih primerov, ki vključujejo počasni tok, laminarni tok, turbulentni tok, turbulentni tok z velikimi vrtinci (LES) in turbulentni tok z ločenimi velikimi vrtinci (DES). Za vsak režim smo definirali fizikalne pogoje, mrežo ter analizirali rezultate hitrosti, tlaka in tokovnic. Prednost programa COMSOL Multiphysics je v njegovi fleksibilnosti pri modeliranju in možnosti povezovanja različnih fizikalnih pojavov.
Rezultati kažejo, da CFD omogoča kakovostno napoved obnašanja toka v mikroreaktorjih, še posebej v območjih z intenzivnim mešanjem. Napredni moduli turbulence, kot sta LES in DES, omogočajo natančnejšo analizo vrtinčenja, a so računsko zahtevnejši. Primerjava med režimi razkrije ključne razlike v pretočnih značilnostih in omogoča boljše razumevanje hidrodinamike sistema.
Ugotovili smo, da so numerične simulacije računalniške dinamike tekočin v programu COMSOL Multiphysics uporabno orodje pri načrtovanju in optimizaciji mikroreaktorjev. Pristop zahteva poznavanje numeričnih metod in strukture modela, vendar ponuja močno podporo pri analizi kompleksnih mikrofluidnih pojavov.
Keywords: mikroreaktorji, računalniška dinamika tekočin, COMSOL Multiphysics, simulacija
Published in DKUM: 12.09.2025; Views: 0; Downloads: 22
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4. 8th International Conference on Technologies & Business Models for Circular Economy : Book of Abstracts2025, proceedings Abstract: The 8th International Conference on Technologies & Business Models for Circular Economy (TBMCE) was organized by the Faculty of Chemistry and Chemical Engineering, University of Maribor in collaboration with the Strategic Research and Innovation Partnership - Networks for the Transition into Circular Economy (SRIP- Circular Economy), managed by the Chamber of Commerce and Industry of Štajerska. The conference was held in Portorož, Slovenia, at the Grand Hotel Bernardin from September 3rd to September 5th, 2025. EIT RawMaterials RIS Hub Adria, SPIRIT Slovenia Business Development Agency and Pomurje Technology Park (as part of the GREENE 4.0 and CI-Hub projects) have joined us as co-organizers. TBMCE 2025 was devoted to presentations of circular economy concepts, technologies and methodologies that contribute to the shift of business entities and society as a whole to a more responsible, circular management of resources. The conference program included panel discussions, plenary and keynote sessions, oral and poster presentations on the following topics: Sustainable Energy, Biomass and Alternative Raw Materials, Circular Business Models, Secondary Raw Materials and Functional Materials, ICT in Circular Economy, Processes and Technologies. Panel discussions addressed following topics: Circular Economy Transition in South East Europe, The transition to carbon neutrality in energy intensive industry, Valorization of used and contaminated wood, Circular economy trends in construction, Critical raw materials and circular economy transition, Industrial Symbiosis and its opportunities for industry, AI and circular economy. The event was under the patronage of Ministry of the Economy, Tourism and Sport and Ministry of Cohesion and Regional Development.
Keywords: circular economy, sustainable development, processes and technologies, circular business models, research and development
Published in DKUM: 01.09.2025; Views: 0; Downloads: 8
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5. Integration of an absorption chiller to a process applying the pinch analysis approachAndreja Nemet, Zdravko Kravanja, Miloš Bogataj, 2022, original scientific article Abstract: In addition to the consumption of hot utilities, there is also a significant cost associated
with the consumption of cold utilities when there is a high demand for cooling. A promising
solution for cooling is an absorption chiller (AC), which uses heat instead of electricity for cooling.
A thermodynamic approach for evaluating AC integrated with a process is presented in this work.
A model for assessing the properties and duties of an AC cycle was developed. The integration of
a combined process-AC system was evaluated using the Grand Composite Curve. Three different
options of integration were analyzed: (i) above the Pinch, (ii) below the Pinch, and (iii) across the
Pinch. AC represents the combined effect of a heat engine and a heat pump, as the generator together
with the absorber and condenser has the function of a heat engine, while the evaporator combined
with the absorber and condenser mimics the function of a heat pump. The comparison between the
non-integrated and integrated process-AC systems has revealed that the proper placement of AC is
across or below the Pinch and the improper is above the Pinch. If AC was entirely integrated below
the Pinch, the integration would result in a complete (100%) reduction in the consumption of hot
utility for the operation of AC. The most suitable placement of AC with double reduction of hot
utility consumption and complete reduction of both hot and cold utility to operate AC is across the
Pinch due to the pumping of heat through AC from below to above the Pinch.
Keywords: absorption chiller, Pinch analysis, heat integration, low-temperature heat
Published in DKUM: 15.05.2025; Views: 0; Downloads: 7
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6. Ocena potenciala medsektorske integracije v Sloveniji s poudarkom vključevanja prometnega sektorja : zaključno poročiloAndreja Nemet, Miloš Bogataj, David Hvalec, Franco Krog, Klemen Rola, Sven Gruber, Jurij Avsec, Danijela Urbancl, Darko Goričanec, Zdravko Kravanja, 2025, final research report Keywords: medsektorska integracija, prometni sektor
Published in DKUM: 03.04.2025; Views: 0; Downloads: 11
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7. 7th International Conference on Technologies & Business Models for Circular Economy : Conference Proceedings2025, proceedings Abstract: The 7th International Conference on Technologies & Business Models for Circular Economy (TBMCE) was organized by the Faculty of Chemistry and Chemical Engineering of the University of Maribor in collaboration with the Strategic Research and Innovation Partnership – Networks for the transition into circular economy (SRIP – Circular economy), managed by the Chamber of Commerce and Industry of the Štajerska. The event took place from September 4 to 6, 2024 in Portorož, Slovenia, at the Grand Hotel Bernardin. The conference focused on the current challenges and opportunities related to technological development and society's responsibility in the transition to a more sustainable and circular management of resources. The conference program included a round table on "Circular Economy Transition in the South-East Europe", 5 panel discussions, plenary and 2 keynote speeches as well as oral and poster presentations. The conference was held under the patronage of the Ministry of the Economy, Tourism and Sport and the Ministry of Cohesion and Regional Development. EIT RawMaterials RIS Hub Adria, SPIRIT Slovenia Business Development Agency, and Pomurje Technology Park (as part of the GREENE 4.0 and CI-Hub projects) joined us as co-organizers.
Keywords: circular economy, sustainable development, processes and technologies, circular business models, research and development
Published in DKUM: 03.03.2025; Views: 0; Downloads: 12
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8. Methanol production via power-to-liquids : a comparative simulation of two pathways using green hydrogen and captured CO2David Tian Hren, Miloš Bogataj, Andreja Nemet, 2024, original scientific article Abstract: Methanol is a versatile substance that can be used in combustion engines and fuel cells and as a feedstock for the production of various chemicals. However, the majority of methanol is currently produced from fossil fuels, which is not sustainable. The aim of this study was to analyze and evaluate the feasibility of methanol production from renewable sources as a bridge to a low-carbon economy and its potential as an alternative to fossil-derived chemicals. For this purpose, the process of methanol production from captured CO2 and water as an H2 source was simulated in Aspen Plus. For CO2 capture, the monoethanolamine (MEA) absorption process was assumed. The H2 required for methanol synthesis was obtained by alkaline water electrolysis using electricity from renewable sources. The captured CO2 and the produced H2 were then converted into methanol through the process of CO2 hydrogenation in two ways, direct and two-step synthesis. In the direct conversion, the hydrogenation of CO2 to methanol was carried out in a single step. In the two-step conversion, the CO2 was first partly converted to CO by the reverse water-gas shift (RWGS) reaction, and then the mixture of CO and CO2 was hydrogenated to methanol. The results show that direct synthesis has a higher methanol yield (0.331 kmol of methanol/kmol of H2 ) compared to two-step synthesis (0.326 kmol of methanol/kmol of H2 ). The direct synthesis produces 13.4 kmol of methanol/MW, while the two-step synthesis produces 11.2 kmol of methanol/MW. This difference amounts to 2.2 kmol of methanol/MW, which corresponds to a saving of 0.127 $/kmol of methanol. Besides the lesser energy requirements, the direct synthesis process also produces lower carbon emissions (22,728 kg/h) as compared to the two-step synthesis process (33,367 kg/h).
Keywords: power-to-X, Aspen Plus, methanol, CO2 capture, methanol production, water electrolysis
Published in DKUM: 12.02.2025; Views: 0; Downloads: 16
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9. Optimiranje odstranjevanja formaldehida iz azeotropne zmesi butanol/isobutanol/formaldehid/metanol/voda s pretvorbo v heksametilentetraminJan Hartl, 2024, undergraduate thesis Abstract: Namen diplomske naloge je bil preučiti izvedljivost odstranjevanja formaldehida iz azeotropne zmesi butanol/isobutanol/formaldehid/metanol/voda s pretvorbo formaldehida v heksametilentetramin (HMTA).
V sklopu eksperimentalnega dela smo izvedli eksperimente v skladu s centralno kompozitnim eksperimentalnim načrtom in razvili statistično relevanten linearni model, ki opisuje odvisnost masnega deleža formaldehida v raztopini v odvisnosti od dodane množine metanola in amonijaka. Z razvitim modelom smo optimirali reakcijske pogoje s ciljem minimiranja deleža formaldehida in preostalega amonijaka v raztopini. Model potrjuje hipotezo, da je prisotnost metanola problematična, saj stabilizira formaldehid (pretvorba formaldehida ob prisotnosti metanola v hemiacetal) in ga tako naredi manj dostopnega za pretvorbo v HMTA. Po pričakovanjih pa višanje množine amonijaka kot reaktanta zmanjšuje delež preostalega formaldehida.
Rezultati kažejo, da je na laboratorijski ravni odstranjevanje formaldehida iz azeotropne zmesi s pretvorbo v HMTA izvedljivo. Kot eno izmed možnih tehnologij za ločevanje HMTA iz raztopine smo uporabili vakuumsko destilacijo, s katero HMTA odstranimo kot destilacijski ostanek. Pri pogojih, ki smo jih določili kot optimalne, se je masni delež formaldehida v raztopini znižal iz začetnih 1,39 % na 0,048 %.
Keywords: odstranjevanje formaldehida, heksametilentetramin, azeotropne zmesi, vakuumska destilacija, načrtovanje eksperimentov, optimiranje reakcijskih pogojev.
Published in DKUM: 19.09.2024; Views: 0; Downloads: 30
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10. Kompenzatorji mrtvega časa regulacija procesov z dolgim mrtvim časom : diplomsko delo univerzitetnega študijskega programa I. stopnjeBlaž Vidovič, 2024, undergraduate thesis Abstract: Namen diplomske naloge je bil ugotoviti vpliv različno dolgih mrtvih časov na regulacijo procesov 1. in 2. reda. Mrtvi čas, v dinamičnih sistemih, predstavlja časovni zamik med dejansko spremembo vhodnega signala in spremembo izhodne spremenljivke, ki je posledica časa, potrebnega za prenos informacije skozi sistem. V delu smo izvedli simulacije v računalniškem orodju Simulink, za servo in regulacijske probleme. Izvedli smo tudi regulacijske simulacije sistema z motnjo šuma. Primerjali smo učinkovitost regulacije sistema, reguliranega z navadno PID povratnozančno shemo, s shemo regulirano s Smithovim prediktorjem.
Rezultati kažejo, da je Smithov prediktor primernejša rešitev za regulacijo sistemov z dolgim mrtvim časom tako v pri sledenju referenčne vrednosti, kot tudi v primeru regulacijskih problemov in regulacijskih problemov z dodano motnjo šuma, saj z njim dosežemo manjše oscilacije in hitrejšo vzpostavitev stacionarnega stanja. Iz rezultatov je razvidno tudi, da so regulacijske sheme v sistemih z mrtvim časom učinkovitejše pri blaženju nizkofrekvenčnega šuma kot visoko frekvenčnega šuma.
Keywords: regulacija procesov, PID regulator, Smithov prediktor, mrtvi čas, Simulink
Published in DKUM: 09.09.2024; Views: 40; Downloads: 69
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