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EP/E016340/1 - Molecular Systems Engineering: From Generic Tools to Industrial applications

Research Perspectives grant details from EPSRC portfolio

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Professor G Jackson EP/E016340/1 - Molecular Systems Engineering: From Generic Tools to Industrial applications

Principal Investigator - Department of Chemical Engineering, Imperial College London

Other Investigators

Professor CS Adjiman, Co InvestigatorProfessor CS Adjiman

Dr A Galindo, Co InvestigatorDr A Galindo

Dr EA Muller, Co InvestigatorDr EA Muller

Professor CC Pantelides, Co InvestigatorProfessor CC Pantelides

Professor E Pistikopoulos, Co InvestigatorProfessor E Pistikopoulos

Scheme

Standard Research

Research Areas

Process Systems: Components and Integration Process Systems: Components and Integration

Collaborators

Procter & Gamble Procter & Gamble

GlaxoSmithKline GlaxoSmithKline

Bristol Myers Squibb Company Bristol Myers Squibb Company

BASF AG BASF AG

Start Date

06/2007

End Date

09/2013

Value

£3,025,729

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Grant Description

Summary and Description of the grant

Functional molecules (such as polymers, surfactants, ionic liquids and solvents) and structured phases (such as crystalline materials, micelles and liquid crystals) are of immense industrial importance in areas ranging from the traditional chemical and petrochemical sectors to the personal care, pharmaceutical, agrochemical and biotechnology sectors. Large strides in our ability to model matter from the molecular to macroscopic scales have been made in recent years, and it is timely to exploit these advances to make more rational design decisions in developing new materials. MOLECULAR SYSTEMS ENGINEERING focuses on the development of methods and tools for the design of better products and processes in applications where molecular interactions play a central role. By MOLECULAR we refer to the development of predictive models that are built upon a fundamental understanding of the behaviour of functional molecules, and which rely on physically meaningful parameters. The resulting models should incorporate the most up-to-date scientific knowledge and be accessible to non-experts. By SYSTEMS we refer to the development of techniques that are generic and can therefore be used to tackle problems in a range of applications. We place particular emphasis on the correct and efficient integration of models across different scales, so that molecular-level models can be used reliably at the larger scale of products and processes. By ENGINEERING we refer to our focus on applications where the key issue is to achieve desired behaviour, be it optimal end-use properties for a product or optimal performance for a manufacturing process. This research programme thus aims at addressing the general grand challenge of finding molecules, or mixtures of molecules, which possess desired properties for their end-use and for processing. A multidisciplinary team of systems engineers and thermodynamicists will develop modelling approaches to address generic problems in predicting the behaviour of matter, and will apply them within computer-aided design tools to solve problems in four important areas of application: the promotion of organic reactions in solvents, polymer design, the design of effective drug crystals, the design of structured materials such as polymer blends, microemulsions (e.g. shampoos) and liquid crystals.

Structured Data / Microdata


Grant Event Details:
Name: Molecular Systems Engineering: From Generic Tools to Industrial applications - EP/E016340/1
Start Date: 2007-06-18T00:00:00+00:00
End Date: 2013-09-17T00:00:00+00:00

Organization: Imperial College London

Description: Functional molecules (such as polymers, surfactants, ionic liquids and solvents) and structured phases (such as crystalline materials, micelles and liquid crystals) are of immense industrial importance in areas ranging from the traditional chemical and pet ...