Objectives of Programme's Learning Outcomes

• Imagine, design, implement and operate compounds, products and materials to specific properties and physical, chemical and biochemical solutions/processes leading to obtaining these materials by integrating needs, contexts and issues (technical, economic, societal, ethical, safety and environmental).
• Identify complex problems to be solved and formulate the specifications by integrating client needs, contexts and issues (technical, economic, societal, ethical and environmental).
• Mobilise a structured set of scientific knowledge and skills and specialised techniques in order to carry out missions of chemical engineering and materials science, using their expertise and adaptability.
• Master and appropriately apply knowledge, models, methods and techniques specific to the field of chemistry and materials science.
• Analyse and model a problem/process/producing pathway by critically selecting theories and methodological approaches (modelling, calculations), and taking into account multidisciplinary aspects.
• Assess the validity of models and results in view of the state of science and characteristics of the problem.
• Plan, manage and lead projects in view of their objectives, resources and constraints, ensuring the quality of activities and deliverables.
• Respect deadlines and the work plan, and adhere to specifications.
• Communicate and exchange information in a structured way - orally, graphically and in writing, in French and in one or more other languages - scientifically, culturally, technically and interpersonally, by adapting to the intended purpose and the relevant public.
• Argue to and persuade customers, teachers and a board, both orally and in writing
• Select and use the written and oral communication methods and materials adapted to the intended purpose and the relevant public.
• Use and produce scientific and technical documents (reports, plans, specifications, etc.) adapted to the intended purpose and the relevant public.
• Adopt a professional and responsible approach, showing an open and critical mind in an independent professional development process.
• Show an open and critical mind by bringing to light technical and non-technical issues of analysed problems and proposed solutions.
• Exploit the different means available in order to inform and train independently.
• Contribute by researching the innovative solution of a problem in engineering sciences.
• Adequately interpret the results taking into account the reference framework within which the research was developed.

Learning Outcomes of UE

I- Introduce students to the main techniques of computational fluid dynamics ("Computational Fluid Dynamics": CFD) and digital calculation of heat transfers ("Computational heat transfer": CHT), including non-reactive or reactive multi-species flows.
- For analysis or design problems involving flows with heat transfers and transport and reactions of chemical species, the objectives of the course are to develop critical thinking in the field of dynamics computational fluids and computational heat transfers in order to be able to:
- Describe the different classical methods with emphasis on finite volume methods for flows
advection/diffusion and thermal conductions, their potential and their limits.
- Summarize the different stages of discretization of the most common simulation methods
- Contribute to the development of CFD/CHT software
- Understand what is implemented in existing codes and commercial software
- Make judicious use of digital simulations and commercial software
- Know how to judge the quality of simulation results
- Be able to read and understand literature on this subject
- Be able to solve a simplified 1D or 2D problem (Matlab or Python)
- Be able to use scale models in a relevant manner.

- Be able to identify the important parameters and data of a problem specific to chemistry-materials science and to implement them in specific modeling software (thermodynamics or chemical process).
- Use this knowledge as a basis for possible Master thesis work (TFE: End of Study Work)
- Be able to evaluate the relevance and quality of the results of a simulation (demonstrate critical thinking).

UE Content: description and pedagogical relevance

CFD Part:
Simulation of flows, heat transfers and reactive flows in a virtual prototyping world.
Steps and tools to numerically solve conservation laws driven by PDEs (Differential Equations
partial).
Mathematical descriptions of transport laws for advection/diffusion involved in flow models with
heat transfer and reaction of chemical species
Nature and levels of equation approximation of transport laws of conservation of mass, momentum,
energy and reactive chemical species.
Mathematical nature of advection/diffusion PDEs: Impacts on solution methodology; Well posed problem,
boundary conditions and initial conditions.

Chemistry-materials Science Specific Part
- Physical simulation, mainly of flows
- Analytical modeling: CalPhad formalism, molecular dynamics, specific modeling of chemical processes

Prior Experience

Not applicable

Type(s) and mode(s) of Q1 UE assessment

• Written examination - Face-to-face

Q1 UE Assessment Comments

Global mark.
The tests will consist of
- an oral exam on the theory of the CFD part. This oral exam takes place over half a day during the session. The exam questionnaire, for this course given in English, is written in English and French. Students can respond in either English or French (no assessment of English language proficiency). The response is prepared in writing on paper and is presented orally individually. The exam is carried out without the aid of notes and takes place over half a day during the exam session and aims to assess the degree of assimilation and mastery of the material (and not a restitution of pure memory of elements learned by heart).
- Practical work in the CFD part: Written report combined with a discussion/defense during the oral exam on the code developed.
- An article discussion for the 'Physical and digital modeling of processes' part: the article written in English will be sent to students no later than 15 days before the exam. Students will have to produce a brief critical summary, which they will bring to the exam and which will serve as a basis for an analytical and critical discussion of the article, based on the concepts seen in class.

Method of calculating the overall mark for the Q1 UE assessment

50/100 for the theoretical part 'Numerical Modeling in Aerothermal Energy Engineering'
25/100 for the practical work part 'Numerical Modeling in Aerothermal Energy Engineering'
25/100 for the critical discussion part of a scientific article and evaluation of a group work report 'Modélisation physique et numérique des procédés'.

Type(s) and mode(s) of Q1 UE resit assessment (BAB1)

• N/A - Néant

Q1 UE Resit Assessment Comments (BAB1)

-

Method of calculating the overall mark for the Q1 UE resit assessment

-

Type(s) and mode(s) of Q3 UE assessment

• Written examination - Face-to-face

Q3 UE Assessment Comments

Examination procedure identical to that used for the Q1 assessment.

Method of calculating the overall mark for the Q3 UE assessment

Examination procedure identical to that used for the Q1 assessment.