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Modern Equation of State for Electrolytes

Project description

Predicting the behaviour of electrolyte solutions

Electrolyte solutions conduct electricity as they contain dissociated ions that move freely within the solution. They find applications in many fields, from chemical manufacturing and batteries to pharmaceuticals and water treatment. The ERC-funded ElectroSAFT project will make available a powerful new model that predicts how electrolyte solutions behave under different temperatures, pressures and solvents. The model can reliably describe key properties such as stability, phase behaviour and how ions interact in solution. To ensure broad impact, the project will deliver a user-friendly software tool that allows non-experts to apply the model easily in research and industrial process design, supporting innovation across science and industry.

Objective

"The objective of this project is to develop and make available in various forms an equation of state for electrolyte solutions, eSAFT-VR Mie, developed during the ERC project ""New Paradigm in Electrolyte Thermodynamics"". The model can be applied across a wide range of temperatures, pressures, and solvents, solving the problems of currently used models in industry and research. We aim to integrate the model into a user-friendly tool featuring a Guided User Interface (GUI) and a CAPE-OPEN or user model interface for commercial simulators, allowing the non-expert user to apply the model in day-to-day work. The tool and the user model will be available under various licences and conditions (1-academic use licence, 2-non-comercial industrial licence available to industrial consortia managed by the PI, 3- commercial use licence for any entity interested in buying it). This strategy will facilitate wider distribution and testing, thereby promoting the development of a robust tool relevant (but not limited) to industry and academia."

Fields of science (EuroSciVoc)

Keywords

Programme(s)

Topic(s)

Funding Scheme

HORIZON-ERC-POC - HORIZON ERC Proof of Concept Grants

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Call for proposal

(opens in new window) ERC-2024-POC

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Host institution

DANMARKS TEKNISKE UNIVERSITET
Net EU contribution
€ 150 000,00
Address
ANKER ENGELUNDS VEJ 101
2800 Kongens Lyngby
Denmark
Region
Danmark Hovedstaden Københavns omegn
Activity type
Higher or Secondary Education Establishments
Links
Total cost
No data

Beneficiaries (1)