Green Chemistry+Digital Intelligence. Solution for Sustainability at Molecular Level

Recommended Prerequisites

Not applicable.

Teaching Methods

Synchronous and asynchronous sessions, theoretical sessions and theoretical-practical sessions with presentation, analysis and resolution of case studies. Use of digital tools available on-line.

Evaluation: analysis and presentation of a case study.

Learning Outcomes

Understand the Green Chemistry paradigm and know its principles. Understand the importance of Green Chemistry for sustainable development.

Acquire basic knowledge about current chemical technologies. Understand its importance for the development of sustainable processes.

Know the types of solvents and their main characteristics. Develop skills in the responsible choice of the solvent in any process.

Know the metrics that allow quantifying the sustainability of a chemical process.

Know the applications of artificial intelligence in the evaluation and optimization of the sustainability of the chemical process.

Recognize the interaction points of Green Chemistry and Artificial Intelligence after, during and before chemical process. Acknowledge the advantages and disadvantages of the interaction.

Skills in using available digital tools.

Work Placement(s)

No

Syllabus

1. Green Chemistry and Sustainable Chemistry. Definitions and Principles.

2. Green Chemistry Technologies: new tools to guarantee production and protect the environment.

3. Green solvents. Properties. Classification. Selection Guides. Responsible choices.

4. Metrics in Green Chemistry and Sustainability. Quantify sustainability.

5. Green Chemistry+Digital Intelligence: Before the Chemical Process.

Software for reagent selection, solvent selection and process selection (synthesis prediction, deep learning).

6. Green Chemistry+Digital Intelligence: During the Chemical Process.

Challenges and solutions for the implementation of artificial intelligence in batch and flow processes. in-/ on-line monitoring. Real-time characterization. Data analysis. Decision making. Advantages and disadvantages. Smart Labs.

7. Green Chemistry+Digital Intelligence: After the Chemical Process. Use of metrics to improve the sustainability of the process.

Head Lecturer(s)

Marta Piñeiro Gomez

Assessment Methods

Assessment
Analysis and presentation of a case study: 100.0%

Bibliography

Anastas, P.; Eghbali, N. Critical Review, Chem. Soc. Rev. DOI: 10.1039/B918763B

Andraos, J. ACS Sustainable Chem. Eng. DOI: 10.1021/acssuschemeng.7b03360

Diorazio, L. J. et al. Org. Process Res. Dev. 2016, 20, 760-773. DOI: 10.1021/acs.oprd.6b00015

Peiretti, F.; Brunel, J. M. ACS OMEGA, DOI: 10.1021/acsomega.8b01773

Sels et al, Molecules, DOI: 10.3390/molecules25133037

Tai, X. Y. et al, Energy and Ai, DOI: 10.1016/j.egyai.2020.100036

Hardian, R. Green Chem. DOI: 10.1039/D0GC02956D