Projects / Programmes
Chemical Reaction Engineering
January 1, 2020
- December 31, 2025
| Code |
Science |
Field |
Subfield |
| 2.02.00 |
Engineering sciences and technologies |
Chemical engineering |
|
| Code |
Science |
Field |
| T350 |
Technological sciences |
Chemical technology and engineering |
| Code |
Science |
Field |
| 2.04 |
Engineering and Technology |
Chemical engineering
|
chemical process engineering; multi-scale modelling simulations; chemical reaction kinetics; transport phenomena resistances; heterogeneous catalysis materials
Data for the last 5 years (citations for the last 10 years) on
December 8, 2023;
A3 for period
2017-2021
| Database |
Linked records |
Citations |
Pure citations |
Average pure citations |
| WoS |
590 |
17,025 |
15,441 |
26.17 |
| Scopus |
609 |
18,583 |
16,932 |
27.8 |
Researchers (41)
Organisations (1)
| no. |
Code |
Research organisation |
City |
Registration number |
No. of publicationsNo. of publications |
| 1. |
0104 |
National Institute of Chemistry |
Ljubljana |
5051592000 |
21,377 |
Abstract
Since the coining of the term Chemical Engineering has impinged “on aspects of industrial life as diverse as the manufacture of consumer goods and the generation of nuclear power”. Traditional chemical engineering, as we know it, has developed a toolbox that all covenant alumni will immediately recognise as energy, as well as mass balance equations, transport phenomena correlations, reaction rate kinetics, etc. The nascent petroleum industry has been the juggernaut in most watershed discoveries.
Chemical Reaction Engineering plays a rather central role, as through the research of reactions, kinetics and reactors one can influence the intensity of needed upstream or downstream operations, e.g. distillations, extractions, absorptions, etc. The Slovenian Research Agency Programme provides a means of furthering the development of chemical reaction engineering, which is continuously encountering the challenges, which mirror those of mankind: climate, energy, health, materials and transport.
Furthermore, Catalysis is one of the most generally-encountered, utmost cross-cutting and key enabling disciplines in existing chemical industry, while it is very frequently inherently intertwined with chemical reaction engineering, from material to reactor design. As opposed to the past, nowadays advanced catalyst materials have to be designed concomitantly with reactors, as well as processes, which represent a challenge by itself due to various time/spatial scales encountered (atoms to chemical plants).
The Slovenian Research Agency Programme Chemical Reaction Engineering has-, as well as will address key chemical reaction engineering challenges, which are recognised as being vital for the 21st century:
1. Carbon dioxide valorisation: the main technological challenge is related to the inactivity of CO2, which requires novel reactor designs to overcome equilibria or non-conventional activation/conversion processes, e.g. photo-catalysis.
2. Natural gas conversion: before entering the future low-carbon society, natural gas platform will play a very important role, substituting oil, whereas non-reforming activation processes are spearheading the development.
3. Chemicals from biomass: unlocking the potential of cellulose, hemicellulose and lignin biomass fractions to produce bio-based furans, aromatics and other functional oxygenates (drop-in or even outperforming).
4. Electro-catalytic reaction design: the electrification of conventional chemical industry is becoming noticeable, ranging from the initial fuel cells to realistic emerging electro-synthesis.
5. Pharmaceutical process engineering: progressing from chemical active pharmaceutical ingredient (API) synthesis to the cellular metabolism-based production of biopharmaceuticals.
Enabling-wise, multi-scale process modelling shall be applied. The latter is linking process design, simulation and optimisation with catalysis, proceeding from ab initio kinetics, mesoscale catalyst turnover and reactor-scale transport phenomena.
Significance for science
The importance of the Programme Chemical Reaction Engineering for the development of science is in deepening the fundamental understanding of key transformations that are important for obtaining or converting needed energy, producing everyday goods or changing the living environment that is enveloping us, for example, the climate. The engineering of these reactions or transformations allows us to cope with the challenges of the future. Designing, simulating and improving reaction mechanisms is increasingly facilitated by increasing computing capabilities, in situ measurements, and custom tailor-made units, but the challenges of the 21st century are much more difficult as well, where a fraction of percent determine the ultimate production economics.
Basic science, however, goes hand in hand with the applied, where findings are transferred into the economic reality, which is reflected in the links between the Programme and the largest chemical companies: BASF, DowDuPont, Mitsubishi Chemical etc.
1. Carbon dioxide valorisation: CO2 is the most important greenhouse gas, produced by man and one of the largest reservoirs of carbon on Earth. We are developing ways to convert CO2 into methanol and other value-added chemicals, thus fighting the global warming. The experimental work, which includes catalyst synthesis, the development of pilot reactors and analytics, is supplemented with theory, where we stand at the forefront of multiscale modelling. The application of methods for multiscale modelling, which were developed for a mechanistic description of CO2 hydrogenation into methanol, is useful for all kinds of chemical reactions and engineering processes. Using this methodology, it is possible to describe the process on all scales, from electronic effects on the atomistic scale, through kinetic modelling on a meso-scale, up to reactor behaviour. This allows us to optimise various processes without expensive and environmentally problematic experiments.
2. Natural gas conversion: Before entering into the future low-carbon society, natural gas will play a very important role. The market for methane conversion, with its 800 billion m3/ year is huge and still a growing one, while the natural gas share in the energy mix is expected to increase to 31% by 2035. Global demand for natural gas is expected to increase at a rate of 1.6%/year over 2015-2035, the fastest of all primary fossil resources. In terms of equipment development, the main outlooks, as streamlined by the European Commission, engulf process intensification (e.g. the proposed merger of reaction and product separation) and energy input decrease. The activation and selective conversion of methane is considered the "Holy Grail". Direct methane polymerization to higher hydrocarbons without intermediate conversion into synthesis gas would eliminate restrictions in the use of methane, and all research in this direction is of great importance for the development of science.
3. Chemicals from biomass: Biomass is the only sustainable carbon-based raw resource and it is vastly underutilised. Whereas renewable energy is gradually replacing fossil resource, this is not yet the case for carbon-based materials and products. Bio-based chemicals can be categorized as: (1) Direct replacements (drop-in chemicals), are chemically identical to a petroleum-derived product with a well-established market; (2) functional substitutes are chemically different but have similar functions/properties; while (3) novel products do not resemble an existing petroleum-derived product in structure or function. New fractionation technologies will be developed to isolate bio-based macromolecules ((hemi)cellulose, lignin, chitin, extractives) from lignocellulosic and marine biomass. Further depolymerisation and selective catalytic reactions (hydrogenation, oxidation, carboxylation, decarbonylation etc.) convert them into value-added commodity chemicals and products. Experimental and in-silico research activities w
Significance for the country
The importance of the Programme Chemical Reaction Engineering for the future Slovenia's socioeconomic, cultural and general development is evident through the cooperation with most educational institutions, many commercial enterprises, as well as other research institutions, diverse non-governmental organisations and municipalities; Chemical Reaction Engineering thus justifies its public funds by connecting with various social subsystems.
Through lectures, professorships, mentorships, practices and other collaborations, the members of the Programme cooperate with the University of Ljubljana, the University of Maribor, the University of Nova Gorica, the University of Novo mesto and the Jožef Stefan International Postgraduate School.
Through contracts () 400,000 €), services, patents, researcher exchange and project collaborations, the Programme members cooperate with the largest (Petrol, Krka, Revoz, Lek, Gorenje, Impol, Geoplin, Hella, Talum, Zlatarna Celje, etc.), and micro-, small- and medium-sized domestic enterprises.
1. Carbon dioxide valorisation: Carbon dioxide is also in the society and among laypersons well-known as a big environmental issue, which causes the increased climate warming. Therefore, research on this topic is crucial for the socio-economic and cultura development of Slovenia. The activities of the research programme group are also directed towards popularization of this topic among schoolchildren, pupils, students and laypersons. The research and development of the processes for carbon dioxide valorisation are important also for the industry, which will have the opportunity to actively use carbon dioxide, which is cheaper and more environmentally friendly than purchasing carbon dioxide emission coupons. In the past, the group have presented their work in several television and radio shows (Ugriznimo znanost, Frekvenca X) and in several printed media (Finance, Delo). The group also participates in the organisation of a very popular high school science competition for Year 9 and 10 pupils, which has around 1000 participants every year.
2. Natural gas conversion: Natural gas is flared at remote locations, because its exploitation is too expensive, and the greenhouse gas CO2 is subsequently released into the atmosphere. In the context of the multi-million-dollar ADREM project (Horizon 2020), methane is transformed on location into liquid, more valuable products. We are protecting the environment against the harmful effects of global warming, at the same time raising awareness in the society, training experts in this field, and also promoting Slovenia as an environmentally conscious country. New solutions for energy-efficient valorisation of variable methane feedstocks to C2+ hydrocarbons for the process industries are being addressed in the Adaptable Reactors for Resource- and Energy-Efficient Methane Valorisation consortium in partnership with leading European industries: Johnson Matthey PLC, United Kingdom; Technip Benelux, Netherlands; Sairem SAS, France.
3. Chemicals from biomass: The development of processes for producing chemicals and fuels from biomass is of the utmost importance for Slovenian socio-economic development, as efficient biomass utilization can significantly reduce current share of imported petroleum products (both for chemicals and fuels) and improve the socioeconomic status of stakeholders involved in production of agricultural and forest assortments, as well as chemical, paper, cosmetic and food industries. Development of sustainable processes to convert renewable biomass into commodity chemicals and products has been conducted in collaboration with Slovenian industry, specifically: Helios Domžale, Tanin Sevnica, Melamin Kočevje, Gozdno Gospodarstvo Postojna, private Pulp and Paper Institute, Medex, Arspharmae etc.
4. Electro-catalytic reaction design: The transition to clean energy, which is not based on fossil fuels, is one of the main challenges of the whole world, and therefor
