Razvoj matematičnega modela za optimizacijo procesnih parametrov pri elektrokemijskem procesu proizvodnje vodikovega peroksida v mikroreaktorskem sistemu med dvema ploščama

Nuhanović, Mejrema (avtor), Plazl, Igor (mentor)

Z naraščajočo okoljsko ozaveščenostjo je razvoj trajnostne tehnologije postal področje velikega raziskovalnega interesa. Na tem mestu so mikroreaktorski sistemi našli obetavne možnosti uporabe. Mikroreaktorski sistemi so tisti, ki imajo vsaj eno dimenzijo manj kot 1 mm. Zaradi majhnih količin potrebnih kemikalij in visokih hitrosti prenosa toplote ter snovi so sistemi na mikro nivoju še posebej primerni za reakcije z zelo vnetljivimi, strupenimi in eksplozivnimi reaktanti, ker omogočajo izločanje stranskih reakcij ter produktov, za doseganje maksimalne možne konverzije in nizke porabe energije. Vodikov peroksid (H2O2) je eden najmočnejših in pogosto uporabljenih oksidantov. Sam po sebi je okolju prijazen oksidant, ker je edini stranski produkt njegove oksidacije voda. H2O2 se uporablja za različne namene, npr. reakcije oksidacije, beljenje, dezinfekcija, čiščenje odpadne vode ter v elektronski industriji. Proizvodnja H2O2 poteka predvsem z antrakinonskim postopkom. Pri tem postopku se alkil-antrakinon hidrogenira s H2 preko Pd katalizatorja v alkil-antrahidrokinon, čemur sledi avtooksidacija z O2 nazaj v alkil-antrakinon. Poleg direktne sinteze je v zadnjem času narejeno veliko raziskav na področju elektrokemije ter možnosti uporabe elektrokemijskih postopkov pridobivanja produktov. Eden teh produktov je vodikov peroksid. Elektrokemijska proizvodnja H2O2 poteka preko reakcije redukcije kisika na katodi. Reakcija lahko proizvede želeni H2O2 po 2- elektronski (2e-) poti ali H2O po 4-elektronski (4e-) poti. V magistrski nalogi je obravnavana proizvodnja H2O2 po elektrokemijskem postopku, za katerega je prvotno razvit elektrokatalizator, ki ob dovajanju vode in z razstapljanjem kisika katalizira pretvorbo teh dveh reaktantov do želenega produkta. Pri tem procesu si pomagamo z razvojem matematičnega modela in računalniško simulacijo, ki omogoča hitro iskanje procesnih parametrov, za katere bi z eksperimentalnimi podatki porabili znatno več časa.

• Jezik: Slovenski jezik
• Ključne besede: vodikov peroksid, modeliranje, elektrokemijski mikroreaktor
• Vrsta gradiva: Magistrsko delo/naloga
• Tipologija: 2.09 - Magistrsko delo
• Organizacija: FKKT - Fakulteta za kemijo in kemijsko tehnologijo
• Leto izida: 2023
• PID: 20.500.12556/RUL-153013
• COBISS.SI-ID: 178491395
• Datum objave v RUL: 14.12.2023

Sekundarni jezik

• Jezik: Angleški jezik
• Naslov: Development of a mathematical model for optimization of process parameters in the electrochemical process of hydrogen peroxide production in a microreactor system between two plates

Izvleček

With growing environmental awareness, the development of sustainable technology in the postal field is of great research interest. In this place, microreactor systems have found promising application possibilities. Microreactor systems are those that have at least one dimension less than one millimeter. Due to the small amounts of chemicals required and the high rate of heat and mass transfer, micro-level systems are particularly suitable for reactions with flammable, explosive and toxic reactants, as they require the elimination of side reactions and products, to achieve the maximum possible conversion and low energy consumption. Hydrogen peroxide (H2O2) is one of the most powerful and commonly used oxidants. It is an environmentally friendly oxidizer because the only oxidation byproduct is water. H2O2 is used for various purposes, e.g., oxidation reactions, disinfection, bleaching, wastewater treatment and in the electronics industry. The production of H2O2 takes place mainly by the anthraquinone process. In this process, alkyl anthraquinone is hydrogenated with H2 over a Pd catalyst to alkyl anthrahydroquinone, followed by autoxidation with O2 back to alkyl anthraquinone. In addition to direct synthesis, a large amount of research has recently been carried out in the field of electrochemistry and the possibility of using electrochemical production of products. One of these products is hydrogen peroxide. The electrochemical production of H2O2 takes place via an oxygen reduction reaction at the cathode. The reaction can produce ferrous H2O2 via the 2-electron (2e-) pathway or H2O via the 4-electron (4e-) pathway. The master's thesis deals with the production of H2O2 by an electrochemical process, for which an electrocatalyst was originally developed, which catalyzes the conversion of water and oxygen to the desired product. The process is fastened by developing a mathematical model and computer simulation, which enables a quick search for process parameters that would require much more time with experimental measurements.

• Ključne besede: hydrogen peroxide, modeling, electrocatalytic microreactor