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Applied chemistry and physical chemistry

The Applied Chemistry and Physical Chemistry Division works in the field of:

  • chemistry,
  • physical chemistry,
  • microbiology,
  • thermodynamics,
  • materials and corrosion.

This work enables it to design processes and to synthesize, formulate, characterize or validate effective and economical materials meeting society’s requirements in terms of the environment and the evolving needs of the oil, gas and automotive industries.
This applied research relies on internal expertise and close collaboration with research laboratories, both in France - Centre National de la Recherche Scientifique (CNRS) or universities – and abroad.
The majority of projects are carried out in the context of industrial contracts, through research associations, consortiums or bilateral contracts.
The research programs are implemented at IFP’s Rueil-Malmaison and Solaize (IFP-Lyon) sites.

The Division consists of 4 departments:

Thermodynamics and Molecular Simulation

Study and modeling:

  • of the thermodynamic properties of fluids,
  • of adsorption and transport phenomena.

Modeling of catalyst activity.
 

Physical Chemistry of Complex Fluids

  • Formulation and properties of emulsions.
  • Suspensions.
  • Foams and characterization of complex fluids.
     

Materials

Development and characterization of the long-term behavior of polymer, metal or cement materials in extreme environments.
 

Biotechnology

  • Study of bioprocesses for the production of fuels.
  • Biodegradation mechanisms of petroleum products.
  • Management of polluted sites.
     

 

Thermodynamics and Molecular Simulation Department

The department’s work primarily concerns the thermodynamic properties of fluids, adsorption phenomena and transport properties, together with molecular modeling.
 

• Thermodynamic properties of fluids

Experimental work relates to phase equilibria (liquid-vapor, liquid-liquid) and the volumetric properties of complex fluids, including gaseous or liquid hydrocarbons, sour gases, water or salts, in a pressure range of up to 150 MPa and a temperature range of
-100 to +200°C.
Conventional thermodynamic models (equations of state, excess free energy models) and more recent models (SAFT and CPA) are used, or developed, depending on requirements, to calculate and predict the behavior of these mixtures.
 

• Adsorption phenomena

Adsorption equilibria in the presence of mixtures represent a significant part of the department’s activities, either in low-pressure gas phase or in liquid phase. Specific equipment has been developed to quantify adsorption.
 

•Transport properties

Measurement and modeling of the transport properties of petroleum fluids at high pressure are also a major focus. The properties studied experimentally are mainly the viscosity of gases and liquids, the Joule-Thomson coefficient and diffusion coefficients. Their modeling using appropriate methods (corresponding states, equations of state) is also tackled.
 

Liquid-Liquid equilibrium cell

Liquid-Liquid equilibrium cell

• Molecular modeling

Molecular modeling is increasingly used. It offers numerous possibilities for innovation in the field of the thermodynamics of complex fluids (oils, biofuels), catalysts, etc.
In the field of liquid-vapor equilibria, it is used to calculate the properties of high molecular weight constituants, compounds derived from biomass, which are difficult to obtain, or mixtures containing toxic compounds. It is also used to predict adsorption selectivities in microporous solids. The objective is to help guide the choice of solid when developing new separation processes.
With respect to transportation properties (viscosity, diffusion coefficients), molecular modeling makes it possible to calculate these properties for pure compounds or mixtures for which it is difficult to perform experiments (unavailable or toxic pure compounds , pressure and temperature conditions that are too severe).
In addition, quantum chemistry is used to study the activity of refining-petrochemical catalysts, to identify new high-performance solids for the storage of hydrogen and quantify the reactivity of hydrocarbons. This work also contributes to the quantification of hydrocarbon thermal genesis phenomena, the basis for the predictive value of numerical simulation methods for the evolution of sedimentary basins, already widely used in oil prospection.

Example of simulation boxes illustrating the liquid-vapor equilibrium of a CO2-Ar mixture

Example of simulation boxes illustrating the liquid-vapor equilibrium of a CO2-Ar mixture at 248 K and 5 MPa. The CO2 molecules are depicted in red and grey by three force centers, the argon molecules in blue by a single force center. The left-hand box represents the vapor phase and the right-hand box the liquid phase.

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logo de Oil & Gas Science and Technology - La Revue de l IFP

Oil & Gas Science and Technology - Revue de l'IFP
THEMATIC DOSSIER:
"Petroleum process thermodynamics"

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logo de Oil & Gas Science and Technology - La Revue de l IFP

Oil & Gas Science and Technology - Revue de l'IFP
THEMATIC DOSSIER:
"Production of reservoir fluids in frontier conditions"
(Les Rencontres Scientifiques de l'IFP)

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logo de Oil & Gas Science and Technology - La Revue de l IFP

Oil & Gas Science and Technology - Revue de l'IFP
THEMATIC DOSSIER:
"Research Advances in Rational Design of Catalysts and Sorbents"
(Les Rencontres Scientifiques de l'IFP)

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logo de Oil & Gas Science and Technology - La Revue de l IFP

Oil & Gas Science and Technology - Revue de l'IFP
THEMATIC DOSSIER:
"Petroleum Industry Applications of Thermodynamics"

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Oil & Gas Science and Technology - Revue de l'IFP
THEMATIC DOSSIER - Vol. 63 No. 3 (May-June 2008) :
"Thermodynamics 2007"

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Physical Chemistry of Complex Fluids Department

This department studies dispersed systems in which the dispersant phase is liquid (aqueous phase and hydrocarbon phase) and in which the dispersed phase is either liquid, solid or gaseous. The fields of study therefore concern emulsions, suspensions and foams, or complex mixtures of these different systems.
The areas of expertise deployed are as follows:

  • synthesis and formulation: additives and polymers,
  • physicochemical characterizations :
    - radiation diffusion techniques (light, X-rays, neutrons in collaboration with the CEA (French Atomic Energy Commission)),
    - optical microscopy,
    - DSC,
    - NMR relaxometry,
    - quartz micro-balance,
    etc.
  • physical chemistry of interfaces: properties of liquid-liquid and solid-liquid interfaces, adsorption at interfaces, etc.,
  • rheology: constitutive laws of fluids, structure/property relationships, etc.
     

• Emulsions

The emulsions considered are both water-in-oil and oil-in-water (production water, hydrate transport process, etc.). A good understanding of the behavior of interfaces and isolated or concentrated drops in flows is used to develop stable emulsions, when transportation of immiscible mixtures is required, but also to destabilize emulsions in order to separate the phases. This work is aimed notably at improving the performance of separation processes for immiscible mixtures, for example of the water-oil-type.
 

• Suspensions

Suspensions represent the majority of systems studied. The dispersant phase is either an aqueous phase or a liquid hydrocarbon phase, depending on the case. The solid dispersed phase may consist of:

  • paraffin crystals (transportation of paraffinic crudes),
  • hydrate crystals (methane or CO2 hydrates for transportation, separation or production),
  • asphaltene aggregates,
  • mineral particles (clays, silica, oxides, etc.) which can be found for examplein the mineral deposits of production or industrial water, or in systems such as cement slag or boehmite suspensions for the manufacture of catalysts.
     
Cement (C-S-H phase)

Cement (C-S-H phase)

Asphaltene flocs

Asphaltene flocs

Hydrate crystals

Hydrate crystals

•Additives

As part of its activities, the department synthesizes, evaluates the performance of, and develops additives for the production and transportation of crude oils. Environmentally-friendly surfactants or polymers are studied to optimize the recovery of oil, promote water-oil separation or clean installations.
 

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logo de Oil & Gas Science and Technology - La Revue de l IFP

Oil & Gas Science and Technology - Revue de l'IFP
THEMATIC DOSSIER:
"Complex colloidal systems in oil industry"
(Les Rencontres Scientifiques de l'IFP)

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Oil & Gas Science and Technology - Revue de l'IFP
THEMATIC DOSSIER:
"Pipeline Transportation of Heavy Oils"

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Materials Department

The department works on the characterization of materials and the description of their behavior in oil, gas and automobile environments. The objective is to understand and be able to predict the behavior of materials in conditions of use, optimizing them and contributing to the industrial development of new materials or systems.
 

• Behavior of materials

Work is aimed at acquiring a better knowledge of the behavior of materials in real conditions of use in the oil or automobile industry. Studies may concern all types of materials:

  • steels,
  • thermoplastic, thermohardened polymers or elastomers,
  • lightened materials,
  • concretes and coatings.

Certain properties are studied under conditions simulating their real use, often using very specific or original equipment:

  • permeability to liquids (hydrocarbons, biofuels, water, etc.) and gases under pressure (CH4, CO2, H2S, H2, etc.),
  • thermal conductivity,
  • resistance to corrosion,
  • mechanical resistance,
  • resistance to weakening by H2S,
  • ageing in general.
     
Bench test for offshore flexible pipes and ageing cells for material samples

Bench test for offshore flexible pipes and ageing cells for material samples

 

• Materials and Electrochemistry

Work in the field of electrochemistry is aimed at describing and modeling materials to anticipate the numerous corrosion phenomena encountered in installations in contact with sour gases, in the presence of water or oxidizing substances. This work is also intended to test and accurately describe the electrical performance of batteries or fuel cells that can be used to store and use energy, particularly in hybrid vehicles.
 

• New materials

The formulation and application of new polymer materials is studied in order to assess new solutions and contribute to the development of original technologies:

  • materials that are resistant to high temperatures and pressures,
  • low-permeability polymers with improved selectivity and reactive additives,
  • insulating foams and anti-corrosion coatings.

Surface treatments for metals exposed to corrosion phenomena, scaling and new oxygenated fuels are also studied. Studies aimed at limiting deposits or corrosionfocus on the characterization or development of surface treatments and on assessment of the efficacy of treatment methods. Studies are also being conducted to find alloys for the storage of hydrogen in hydride form.
Composite materials have been the subject of numerous developments to adapt resin formulations, manufacturing processes or structures to the specific constraints of armours (unidirectionnal reinforcement) , tubes or reservoirs subjected to high pressures.
Expert assessments and material testing are also performed for various French or foreign companies working in the oil and related industries or the automobile sector.

Left: tensile test on steel in water/H2S environment / Right: observations of damages in a polymer due to CO2 rapid decompression

Left: tensile test on steel in water/H2S environment / Right: observations of damages in a polymer due to CO2 rapid decompression

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Oil & Gas Science and Technology - Revue de l'IFP
THEMATIC DOSSIER:
"Permeability of Gases in Polymer Materials"

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Biotechnology Department

The activities of this department are based on the use of microorganisms and enzymes. It studies:

  • the production of biofuels and chemical compounds derived from biomass,
  • the biodegradation of petroleum products along with their analysis in water and soils with a view to better management of polluted sites.
     

• Biomass conversion

Current work concerns certain key stages in the conversion of lignocellulosic raw materials, such as wood and straw, into biofuels (ethanol and acetone-butanol). For the ethanol industry, activities focus mainly on the pretreatment of biomass and enzymatic hydrolysis of cellulose. A lot of research work is being conducted with the aim of improving the enzymes used and optimizing their synthesis by a selected microorganism, already used in an original industrial process for enzyme production developed by the department. The areas of expertise involved cover molecular biology, genetics, microbiology, biochemical engineering and analytical chemistry. Some aspects are tackled working closely with IFP’s Process Development and Engineering Division, in order to have an integrated global bio-refinery-type approach, in which the flows are optimized and the entire plant is considered.

bacterial cells

Bacterial cells

A large part of the work is carried out in the context of partnerships. Hence, as part of the European Commission’s FP6, the department is coordinating an integrated project bringing together 21 partners: the NILE project (New Improvements for Lignocellulosic Ethanol) and is actively involved in the Biosynergy project as manager of a Work Package. In addition, IFP is closely involved in the projects being carried out by the Agence Nationale de la Recherche (ANR) on the pretreatment of biomass and hydrolysis enzymes.
 

• Biodegradation of petroleum products

This work aims to achieve a better understanding of the mechanisms of degradation:

  • of petroleum products (gasolines, kerosene, gas oil, etc.),
  • polycyclic aromatic hydrocarbons from pyrolysis,
  • chlorinated solvents,
  • ether-fuels and various fuel additives.

The objective is to be able to evaluate the acceptability of these products in terms of the environment and to ensure effective protection of the latter.
The issue consists in identifying compounds recalcitrant to biodegradation and elucidating their degradation mechanisms down to an enzymatic and genetic level in order to characterize the limitations to their disappearance. The knowledge acquired is used to develop methods for the phylogenic and functional characterization of microflora and biosensors dedicated to the detection of target molecules. These methods are based on molecular biology techniques.
This knowledge may also be useful in the refining field, for example for the microbiological desulfurization or denitrogenation of petroleum products, or in the field of oil production for bacterial corrosion.

Petri Dish

Petri Dish

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Oil & Gas Science and Technology - Revue de l'IFP
THEMATIC DOSSIER:
"Microbiology of Hydrocarbons: State of the Art and Perspectives"
(Les Rencontres Scientifiques de l'IFP)

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• Management of polluted sites

The evolution of a pollutant in the soil or in an aquifer layer is related to two main phenomena: its migration inside the matrix (soil or water) and its degradation, essentially by indigenous microflora.
The work carried out focuses mainly on understanding these processes in order to predict the fate of pollution without external intervention (natural attenuation). In addition to methodologies to estimate biodegradation, the department also develops original methods for the analysis of petroleum products (hydrocarbons, ether-fuels, chlorinated solvents) in waters or soils: Pollut-Eval systems, hydrocarbon detector in production water, etc.
This work is further extended by expert assessments on the ground (refineries, storage sites, former gas sites, etc.). This makes it possible to develop approaches and tools for assessment of the treatability of polluted sites, along with the diagnosis and assessment of risks. Biological processes for pollution control in aquifers are also studied. These research programs are usually conducted in partnership as part of ANR, AGRICE or ADEME-funded projects, or competitive clusters like Axelera.

Pollut-Eval T

Pollut Eval T


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