BURNQUEST · Transfer of knowledge towards a world class combustion chemistry centre
6РП — Действия „Мария Кюри“
- Период
- 2005-09-01 → 2009-08-31
- Финансиране от ЕС
- 724 144 €
- Участници
- 2
- Схема
- TOK
Линиите свързват координатора с партньорите. За проекти отпреди 2014 г. CORDIS не винаги дава точни координати. Тези точки са на ниво град или държава.
Накратко на български
Химичните процеси при горенето се анализират чрез квантова химия и компютърно моделиране. Това помага за създаването на по-точни модели за по-чисто изгаряне на горива.
Кратко обяснение, генерирано от езиков модел по текста на CORDIS. Оригиналът е по-долу.
Резултати накратко
Final Activity Report Summary - BURNQUEST (Transfer of knowledge towards a world class combustion chemistry centre)
The main objective of this project was to transfer knowledge and high-level expertise in computational quantum chemistry, mechanism reduction and sensitivity analysis to a pre-existing combustion chemistry group (which lacked these skills) in order to create a world-class combustion chemistry centre. This has been achieved. The profile of the group has been raised considerably, and in spite of the fact that Ireland is a small country on the periphery of Europe without any manufacturing or research and development in automotive and power generation industries, we have gained valuable industrial R&D contracts from companies in the European Union (EU), North America and the Middle East. The enhanced profile has led to the centre being centrally involved in the launch of a new COST Action on 'detailed chemical kinetic models for cleaner combustion' with 24 other countries in the EU.
Текст от CORDIS, на английски · Данни: CORDIS, © Европейски съюз
Цел на проекта
This project brings together scientists and engineers with the requisite expertise to enhance the capabilities of a combustion chemistry group so that this transfer of knowledge will allow the creation of a world-class centre dedicated to the reliable prediction of combustion events from a chemical perspective. This objective requires a fundamental understanding and a capacity for modelling both the underlying chemistry and combustion environments.In general the modelling/simulation of combustion can involve complex mixtures (a typical petrol may contain over 300 compounds), complex reactions (a reasonable description of the reaction between hydrogen and oxygen demands 19 individual elementary steps; that between n-decane and oxygen needs 7,920), complex reactors (an internal combustion engine is characterised by a complicated three-dimensional geometry, rapidly changing temperatures and pressures, turbulent flows, valves opening and closing, etc.) and complex data; in other words, the modelling of complexity.Much of the required input data, such as reaction rate constants, is simply unavailable or extremely time consuming to measure. Our research group has unique laboratory equipment for studying the chemistry of oxidation at both high and medium temperatures, and, key skills in detailed chemical kinetic modelling, but, it lacks three important ingredients required to translate this expertise into a coherent package.These key skills are:- the quantum mechanical computation of transition states and the thermochemistry of both stable and free-radical species to chemical accuracy, and, the calculation of reaction rates by canonical variational transitionstate theory,- the ability to generate mechanisms automatically via logical programming or computer-aided design, and,- sophisticated mathematical methods of sensitivity analysis.
Оригинален текст от CORDIS (на английски).
Участници
Връзки
Данни: CORDIS, © Европейски съюз