Objective
Imagine, we could design chemical processes solely based on molecular properties. This proposal offers a new ecosystem of equation-of-state models for predicting fluid mixtures. A recent theoretical approach from Molecular Thermodynamcis (the uv-theory) gives an entirely new perspective on thermodynamic equations of state because: (1) substances with rich experimental data, such as water, can be described with arbitrary accuracy – similar to empirical multiparameter equations of state. The so-obtained highly accurate equation of state remains compatible with other substances for the prediction of mixtures within a SAFT model framework (Statistical Associating Fluid Theory). This concept is radically new, compared to the status quo, where a user must choose between a highly accurate equation of state for a pure substance or a model to represent mixtures. Further (2), the proposed model does not assume molecules to be entirely flexible, as existing SAFT-models do. Molecules are accurately described as chains of fused spherical interaction sites, similar to force fields used in molecular simulations. The model framework is developed from theories of Molecular Thermodynamics which is why the model will also predictive for inhomogeneous systems, interfacial properties and specifically for adsorption in microporous materials. The applicant is convinced that a powerful new model-ecosystem should be further developed collaboratively, as a community effort, which is why the model will be available as open-source software from the outset of the project.
Fields of science (EuroSciVoc)
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Keywords
Project’s keywords as indicated by the project coordinator. Not to be confused with the EuroSciVoc taxonomy (Fields of science)
Project’s keywords as indicated by the project coordinator. Not to be confused with the EuroSciVoc taxonomy (Fields of science)
Programme(s)
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
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HORIZON.1.1 - European Research Council (ERC)
MAIN PROGRAMME
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Topic(s)
Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.
Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.
Funding Scheme
Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.
Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.
HORIZON-ERC - HORIZON ERC Grants
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Call for proposal
Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
(opens in new window) ERC-2025-ADG
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Net EU financial contribution. The sum of money that the participant receives, deducted by the EU contribution to its linked third party. It considers the distribution of the EU financial contribution between direct beneficiaries of the project and other types of participants, like third-party participants.
70174 Stuttgart
Germany
The total costs incurred by this organisation to participate in the project, including direct and indirect costs. This amount is a subset of the overall project budget.