Projects / Programmes
Circular synthesis of sustainable (bio)chemical processes based on renewable resources
| Code |
Science |
Field |
Subfield |
| 2.02.03 |
Engineering sciences and technologies |
Chemical engineering |
Process system engineering |
| 2.07.05 |
Engineering sciences and technologies |
Computer science and informatics |
Information systems - software |
| Code |
Science |
Field |
| T350 |
Technological sciences |
Chemical technology and engineering |
| Code |
Science |
Field |
| 2.04 |
Engineering and Technology |
Chemical engineering
|
| 1.02 |
Natural Sciences |
Computer and information sciences |
process synthesizer, design, optimization, sustainable development, circular economy, energy and food self-sufficiency, renewable resources
Researchers (20)
Organisations (4)
Abstract
The use of a mathematical programming approach to the synthesis of sustainable chemical and other systems has become increasingly important because of its many valuable features: optimality and feasibility of solutions, potential for performing simultaneous topology and parameter optimization, simultaneous heat, energy and mass integration, simultaneous consideration of different criteria and various operability issues.
Despite these superb features, the use of the mathematical programing does have several problems that prevent this approach from being generally accepted by engineers and from having its potential be fully exploited. Firstly, the tools are not sufficiently user-friendly, since users need to be experienced in writing engineering problems in a suitable mathematical form, solving the code and comprehending the numerical solutions. Secondly, although several efficient mixed-integer nonlinear programming (MINLP) solvers have been developed in the last three decades, hardly any academic or professional MINLP synthesizers for solving nontrivial synthesis problems have yet been developed, even at the process level. Lastly, although the concept of a chemical supply chain was proposed two decades ago, our tools remain insufficient to perform the sustainable product-process synthesis integrally across the chemical supply chain, which prevents the achievement of truly innovative solutions. It is evident that a new generation of tools is needed.
Based on experience gained during the development of the globally unique computerized process synthesizer MIPSYN (Kravanja, 2010), the main objective of this project proposal would be the development of a successive generation of the computerized synthesizer environment, called MIPSYN-Global, capable of providing innovative, sustainable solutions for the circular economy based on renewables. Activities would be the following:
i) The development of advanced synthesis concepts, algorithms and strategies:
1. Implementation and further development of the most advanced logic-based algorithms and strategies, including those for global optimization.
2. Implementation of Advanced Solution Strategies for performing LCA-based, multi-objective optimization (MOO) and synthesis (MOS) of inherently operable chemical supply chains.
ii) Modelling and iii) development of synthesizer tools:
3. Development of a new MIPSYN-Global optimizer and shell.
4. Development of a user-friendly computerized integrated system for MIPSYN-Global, including GUI, a link to the Aspen Plus simulator and various databases.
5. Prediction of chemical kinetics for the synthesis of chemical supply chains.
iv) The development of various applications for using agricultural residues and waste from the food supply chain in the production of green products:
6. An MINLP process synthesizer to obtain sustainable process solutions.
7. An MINLP bio-based process synthesizer for the synthesis of bio-based processes for converting agricultural and food waste.
8. An MINLP micro-process synthesizer based on microreactor technology to synthesize highly intensified and safer processes.
9. An agricultural food and renewable energy supply-network synthesizer to maximize regional food and energy self-sufficiency, and biodiversibility, while significantly minimizing environmental burdens and effects of climate change.
The proposed applications comply with R&D priorities from The Joint Programming Initiative on Agriculture, Food Security and Climate Change (FACCE-JPI); see Letter of support for this project proposal from Slovenian Ministry of Agriculture, Forestry and Food in attached Project-Description file. The consortium would consist of one IT company, two academic partners and one research partner, providing highly professional and complementary expertise, the necessary software and advanced computer platforms, including supercomputers, along with the laboratory equipment needed to apply the combined experimental and Process
Significance for science
The development of powerful circular concepts, methods and tools for innovative synthesis of (bio)chemical supply networks and their computer implementation in the MIPSYN-Global Shell is regarded as the main innovation of the proposed project. Besides using this shell for the synthesis of chemical processes (MINLP process synthesizer), the novelty lies in applying it to the synthesis of bio-based processes using advanced catalytic conversion of renewables, including agricultural residues and waste from the food supply chain, to produce green energy and chemical products (MINLP bio-based process synthesizer). The development of a procedure for predicting chemical kinetics would be another important contribution, since to the best of our knowledge, this task has never been undertaken in the context of synthesizing a chemical supply chain. Together with prescreening of chemical components based on the prediction of properties, it would be extremely efficient for obtaining innovative solutions. Besides carrying out production in the usual, macro-scaled process plants, production could also be carried out on the micro scale – in a microreactor and with micro processes – by exploring the intensified performance that transport and chemical kinetic phenomena enable in micro systems. In this respect, a further originality would be the use of the MIPSYN-Global shell for developing an MINLP micro process synthesizer. Application of MIPSYN Shell to the synthesis of agricultural food and renewable energy supply-networks (Agricultural food and renewable energy supply-network synthesizer) would allow the maximization of regional food and energy self-sufficiency, while significantly minimizing environmental burdens.
In order to help prevent global warming and achieve circular production and consumption in the context of limited resources, the role of the proposed project is to contribute, together with similar groups around the world, to the development of the circular PSE concept, methods and tools sufficiently sophisticated to enable the identification of new compounds, new reaction paths and metabolic networks, in order to create new products with the desired properties and functionalities, thus fundamentally innovating the chemical and process industries based on firm sustainability principles. The final incentive is thus to develop integrated methods and tools to provide engineers with a powerful tool for shaping sustainable development in the chemical and process industries.
The resulting models for the synthesis of bio-based processes, micro processes and agricultural food and energy supply networks would enable us to extend the scope of MIPSYN software capabilities and consequently contribute to the synthesis and optimization of innovative and sustainable solutions to a wide range of problems, including those related to sustainable use of agricultural residues and waste from the food supply chain to produce green products and energy.
Significance for the country
The development of powerful circular concepts, methods and tools for innovative synthesis of (bio)chemical supply networks and their computer implementation in the MIPSYN-Global Shell is regarded as the main innovation of the proposed project. Besides using this shell for the synthesis of chemical processes (MINLP process synthesizer), the novelty lies in applying it to the synthesis of bio-based processes using advanced catalytic conversion of renewables, including agricultural residues and waste from the food supply chain, to produce green energy and chemical products (MINLP bio-based process synthesizer). The development of a procedure for predicting chemical kinetics would be another important contribution, since to the best of our knowledge, this task has never been undertaken in the context of synthesizing a chemical supply chain. Together with prescreening of chemical components based on the prediction of properties, it would be extremely efficient for obtaining innovative solutions. Besides carrying out production in the usual, macro-scaled process plants, production could also be carried out on the micro scale – in a microreactor and with micro processes – by exploring the intensified performance that transport and chemical kinetic phenomena enable in micro systems. In this respect, a further originality would be the use of the MIPSYN-Global shell for developing an MINLP micro process synthesizer. Application of MIPSYN Shell to the synthesis of agricultural food and renewable energy supply-networks (Agricultural food and renewable energy supply-network synthesizer) would allow the maximization of regional food and energy self-sufficiency, while significantly minimizing environmental burdens.
In order to help prevent global warming and achieve circular production and consumption in the context of limited resources, the role of the proposed project is to contribute, together with similar groups around the world, to the development of the circular PSE concept, methods and tools sufficiently sophisticated to enable the identification of new compounds, new reaction paths and metabolic networks, in order to create new products with the desired properties and functionalities, thus fundamentally innovating the chemical and process industries based on firm sustainability principles. The final incentive is thus to develop integrated methods and tools to provide engineers with a powerful tool for shaping sustainable development in the chemical and process industries.
The resulting models for the synthesis of bio-based processes, micro processes and agricultural food and energy supply networks would enable us to extend the scope of MIPSYN software capabilities and consequently contribute to the synthesis and optimization of innovative and sustainable solutions to a wide range of problems, including those related to sustainable use of agricultural residues and waste from the food supply chain to produce green products and energy.
Most important scientific results
Interim report
Most important socioeconomically and culturally relevant results
Interim report
