References of "Gommes, Cédric"
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See detailModeling reaction-limited Ostwald ripening of supported Ni catalysts in presence of CO: the role of particle size distribution
Gommes, Cédric ULg; Munnik, Peter; de Jongh, Petra et al

Poster (2014, March)

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See detailA high pressure cell for supercritical CO2 on-line chemical reactions studied with x-ray techniques
Hermida-Merino, Daniel; Portale, Giuseppe; Fields, Peter et al

in Review of Scientific Instruments (2014), 85

A versatile high pressure X-ray sample cell has been developed for conducting in situ time-resolved X-ray scattering experiments in the pressure and temperature regime required (pressures up to 210 bars ... [more ▼]

A versatile high pressure X-ray sample cell has been developed for conducting in situ time-resolved X-ray scattering experiments in the pressure and temperature regime required (pressures up to 210 bars and temperatures up to 120 °C) for chemical reactions in supercritical fluids. The large exit opening angle of the cell allows simultaneous performance of SAXS-WAXS experiments. Diamond windows are used in order to benefit from the combination of maximum strength, minimal X-ray absorption and chemical inertia. The sample cell can also be utilised for X-ray spectroscopy experiments over a wide range of photon energies. Results of the online synthesis of a block copolymer, poly(methyl methacrylate-block-poly(benzyl methacrylate), by Reversible Addition-Fragmentation Chain Transfer (RAFT) in a supercritical CO2 dispersion polymerisation will be discussed. The contribution of the density fluctuations, as function of temperature, to the X-ray scattering signal has been quantified in order to allow appropriate background subtractions [less ▲]

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See detailRapid aqueous synthesis of ordered mesoporous carbons: Investigation of synthesis variables and application as anode materials for Li-ion batteries
Léonard, Alexandre ULg; Gommes, Cédric ULg; Piedboeuf, Marie-Laure ULg et al

in Microporousand Mesoporous Materials (2014), 195

Ordered mesoporous carbons (OMC) were synthesized via a direct templating pathway by a synthesis route that features short duration, moderate temperature and aqueous media. Resorcinol was used as carbon ... [more ▼]

Ordered mesoporous carbons (OMC) were synthesized via a direct templating pathway by a synthesis route that features short duration, moderate temperature and aqueous media. Resorcinol was used as carbon precursor and hexamethylenetetramine as a source of formaldehyde and ammonia to respectively cross-link the framework and regulate the pH. The temperature of the heat treatment leading to the formation of the solid polymer was shown to have a strong influence on the structural and textural parameters. In particular, moderate temperatures led to the coexistence of differently-sized entangled hexagonal mesostructures, whereas the higher temperatures led to a sharp decrease in the mesopore volume. The performance of these materials as anode materials for Li-ion batteries has been investigated in detail. Although these OMC show reversible capacities similar to those reported for hard carbons, their long-term cycling remains very stable for over 100 cycles of charge/discharge. The optimization of the reported short preparation pathway offers new possibilities regarding the application of ordered mesoporous carbons in various fields, such as energy storage, sorption and heterogeneous catalysis [less ▲]

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See detailNanoparticle Growth in Supported Nickel Catalysts during Methanation Reaction-Larger is Better
Munnik, Peter; Velthoen, Marjolein; de Jongh, Petra et al

in Angewandte Chemie International Edition (2014)

A major cause of supported metal catalyst deactivation is particle growth by Ostwald ripening. Nickel catalysts, used in the methanation reaction, may suffer greatly from this through the formation of [Ni ... [more ▼]

A major cause of supported metal catalyst deactivation is particle growth by Ostwald ripening. Nickel catalysts, used in the methanation reaction, may suffer greatly from this through the formation of [Ni(CO)4]. By analyzing catalysts with various particle sizes and spatial distributions, the interparticle distance was found to have little effect on the stability, because formation and decomposition of nickel carbonyl rather than diffusion was rate limiting. Small particles (3–4 nm) were found to grow very large (20–200 nm), involving local destruction of the support, which was detrimental to the catalyst stability. However, medium sized particles (8 nm) remained confined by the pores of the support displaying enhanced stability, and an activity 3 times higher than initially small particles after 150 h. Physical modeling suggests that the higher [Ni(CO)4] supersaturation in catalysts with smaller particles enabled them to overcome the mechanical resistance of the support. Understanding the interplay of particle size and support properties related to the stability of nanoparticles offers the prospect of novel strategies to develop more stable nanostructured materials, also for applications beyond catalysis. [less ▲]

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See detailThe Structure and Thermal Stability of Amylose−Lipid Complexes: A Case Study on Amylose−Glycerol Monostearate
Goderis, Bart; Putseys, Joke; Gommes, Cédric ULg et al

in Journal of Crystal Growth (2014)

Three different crystalline amylose−glycerol monostearate (GMS) complexes with increasing thermal stability can be distinguished: type I, type IIa, and type IIb. All complexes consist of GMS-loaded ... [more ▼]

Three different crystalline amylose−glycerol monostearate (GMS) complexes with increasing thermal stability can be distinguished: type I, type IIa, and type IIb. All complexes consist of GMS-loaded amylose helices that pack hexagonally into lamellar habits. The complex melting points are proportional to the thickness of the lamellae and depend on the amount of water in the system. For type I complexes, SAXS experiments reveal folded amylose chains and a lamellar thickness governed by the presence of two stretched lipid molecules per amylose helix. In the conversion from type I to type IIa complexes, the short amylose chains unfold and assume a stretched conformation, which increases the number of aligned lipid molecules within the helices to four. In type IIb complexes, another pair of lipid molecules is added. The derived quantitative relation between crystal layer thickness, water content and melting point for amylose−GMS complexes also predicts the melting points of other amylose−monoacyl glycerol complexes. [less ▲]

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See detailThe number of structures compatible with any correlation function
Gommes, Cédric ULg

Conference (2013, July)

A two-point correlation function provides a crucial yet an incomplete characterization of a microstructure because distinctly different microstructures may have the same correlation function. We address ... [more ▼]

A two-point correlation function provides a crucial yet an incomplete characterization of a microstructure because distinctly different microstructures may have the same correlation function. We address here the microstructural degeneracy question: What is the number of microstructures compatible with a specified correlation function? We compute this degeneracy in the framework of reconstruction methods, which enables us to map the problem to the determination of ground-state degeneracies. Since the configuration space of a reconstruction problem is a hypercube on which a Hamming distance is defined, we can calculate analytically the energy profile of any reconstruction problem, corresponding to the average energy of all microstructures at a given Hamming distance from a ground state. The steepness of the energy profile is a measure of the roughness of the energy landscape associated with the reconstruction problem, which can be used as a proxy for the ground-state degeneracy. The relationship between this roughness metric and the ground-state degeneracy is calibrated using a Monte Carlo algorithm for determining the ground-state degeneracy of a variety of microstructures (e.g., realizations of hard disks and Poisson point processes at various densities), as well as with microstructures with a known degeneracy (e.g., single disks of various sizes and a particular crystalline microstructure). We show that our results can be expressed in terms of the information content of the two-point correlation functions. From this perspective, the a priori condition for a reconstruction to be accurate is that the information content, expressed in bits, should be comparable to the number of pixels in the unknown microstructure. We provide a formula to calculate the information content of any two-point correlation function, which makes our results directly applicable by other researchers in the field. [less ▲]

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See detailThree-dimensional reconstruction of liquid phases in disordered mesopores using in situ small-angle scattering
Gommes, Cédric ULg

in Journal of Applied Crystallography (2013), 46

Small-angle scattering of X-rays (SAXS) or neutrons is one of the few experimental methods currently available for the in situ analysis of phenomena in mesoporous materials at the mesoscopic scale. In the ... [more ▼]

Small-angle scattering of X-rays (SAXS) or neutrons is one of the few experimental methods currently available for the in situ analysis of phenomena in mesoporous materials at the mesoscopic scale. In the case of disordered mesoporous materials, however, the main difficulty of the method lies in the data analysis. A stochastic model is presented, which enables one to reconstruct the three-dimensional nanostructure of liquids confined in disordered mesopores starting from small-angle scattering data. This so-called plurigaussian model is a multi-phase generalization of clipped Gaussian random field models. Its potential is illustrated through the synchrotron SAXS analysis of a gel permeated with a critical nitrobenzene/hexane solution that is progressively cooled below its consolute temperature. The reconstruction brings to light a wetting transition whereby the nanostructure of the pore-filling liquids passes from wetting layers that uniformly cover the solid phase of the gel to plugs that locally occlude the pores. Using the plurigaussian model, the dewetting phenomenon is analyzed quantitatively at the nanometre scale in terms of changing specific interface areas, contact angle and specific length of the triple line. [less ▲]

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See detailTHREE-DIMENSIONAL RECONSTRUCTION OF LIQUID PHASES CONFINED IN DISORDERED POROUS MEDIA: AN IN SITU SYNCHROTRON SAS ANALYSIS
Gommes, Cédric ULg; Hermida Merino, Daniel

Conference (2012, December)

We use Synchrotron Small-Angle X-ray Scattering to investigate temperature-induced morphological changes in binary hexane/nitrobenzene solutions confined in the pores of disordered mesoporous solids. The ... [more ▼]

We use Synchrotron Small-Angle X-ray Scattering to investigate temperature-induced morphological changes in binary hexane/nitrobenzene solutions confined in the pores of disordered mesoporous solids. The scattering data is analyzed with a plurigaussian model, which enables us to reconstruct the 3D morphology of the phases with a nanometer resolution. The reconstructions bring to light wetting transitions whereby the morphology of the nitrobenzene passes from a nanometer-thin layer that uniformly covers the solid surface to plugs that locally occlude the pore space. Our analysis enables us to quantitatively analyze the SAS data in terms of changing interface areas and wetting angles. The present contribution offers unprecedented insight into nanometer-scale wetting transitions. It also presents a novel SAS data analysis methodology that is applicable to a host of experimental situations involving disordered mesoporous materials. [less ▲]

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See detailMesoporosity of Zeolite Y – 3D Quantitative Study by Image Analysis of Electron Tomograms
Zecevic, Jovana; Gommes, Cédric ULg; friedrich, Heiner et al

in Angewandte Chemie International Edition (2012), 51

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See detailThe number of structures compatible with any given correlation function
Gommes, Cédric ULg

Scientific conference (2012)

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See detailMicrostructural degeneracy associated with a two-point correlation function and its information content
Gommes, Cédric ULg; Jiao, Yang; Torquato, Salvatore

in Physical Review. E : Statistical, Nonlinear, and Soft Matter Physics (2012), 85

A two-point correlation function provides a crucial yet an incomplete characterization of a microstructure because distinctly differentmicrostructures may have the same correlation function. In an earlier ... [more ▼]

A two-point correlation function provides a crucial yet an incomplete characterization of a microstructure because distinctly differentmicrostructures may have the same correlation function. In an earlier Letter [Gommes, Jiao, and Torquato, Phys. Rev. Lett. 108, 080601 (2012)], we addressed the microstructural degeneracy question: What is the number of microstructures compatible with a specified correlation function? We computed this degeneracy, i.e., configurational entropy, in the framework of reconstruction methods, which enabled us to map the problem to the determination of ground-state degeneracies. Here, we provide a more comprehensive presentation of the methodology and analyses, as well as additional results. Since the configuration space of a reconstruction problem is a hypercube on which a Hamming distance is defined, we can calculate analytically the energy profile of any reconstruction problem, corresponding to the average energy of allmicrostructures at a given Hamming distance from a ground state. The steepness of the energy profile is a measure of the roughness of the energy landscape associated with the reconstruction problem, which can be used as a proxy for the ground-state degeneracy. The relationship between this roughness metric and the ground-state degeneracy is calibrated using a Monte Carlo algorithm for determining the ground-state degeneracy of a variety of microstructures, including realizations of hard disks and Poisson point processes at various densities as well as thosewith known degeneracies (e.g., single disks of various sizes and a particular crystalline microstructure). We show that our results can be expressed in terms of the information content of the two-point correlation functions. From this perspective, the a priori condition for a reconstruction to be accurate is that the information content, expressed in bits, should be comparable to the number of pixels in the unknown microstructure. We provide a formula to calculate the information content of any two-point correlation function, which makes our results broadly applicable to any field in which correlation functions are employed. [less ▲]

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See detailMolecular and Morphological Aspects of Annealing-Induced Stabilization of Starch Crystallites
Gomand, Sara; Lamberts, Lieve; Gommes, Cédric ULg et al

in Biomacromolecules (2012), 13

A unique series of potato (mutant) starches with highly different amylopectin/amylose (AP/AM) ratios was annealed in excess water at stepwise increasing temperatures to increase the starch melting (or ... [more ▼]

A unique series of potato (mutant) starches with highly different amylopectin/amylose (AP/AM) ratios was annealed in excess water at stepwise increasing temperatures to increase the starch melting (or gelatinization) temperatures in aqueous suspensions. Small-angle X-ray scattering (SAXS) experiments revealed that the lamellar starch crystals gain stability upon annealing via thickening for high-AM starch, whereas the crystal surface energy decreases for AM-free starch. In starches with intermediate AP/AM ratio, both mechanisms occur, but the surface energy reduction mechanism prevails. Crystal thickening seems to be associated with the cocrystallization of AM with AP, leading to very disordered nanomorphologies for which a new SAXS data interpretation scheme needed to be developed. Annealing affects neither the crystal internal structure nor the spherulitic morphology on a micrometer length scale. [less ▲]

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See detailDensity of states for a specified correlation function and the energy landscape
Gommes, Cédric ULg; Jiao, Yang; Torquato, Salvatore

in Physical Review Letters (2012)

The degeneracy of two-phase disordered microstructures consistent with a specified correlation function is analyzed by mapping it to a ground-state degeneracy. We determine for the first time the ... [more ▼]

The degeneracy of two-phase disordered microstructures consistent with a specified correlation function is analyzed by mapping it to a ground-state degeneracy. We determine for the first time the associated density of states via a Monte Carlo algorithm. Our results are described in terms of the roughness of the energy landscape, defined on a hypercubic configuration space. The use of a Hamming distance in this space enables us to define a roughness metric, which is calculated from the correlation function alone and related quantitatively to the structural degeneracy. This relation is validated for a wide variety of disordered systems. [less ▲]

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See detailBridging the gap between cellulose chemistry and heterogeneous catalysis
Van de Vyver, S; Geboers, J; Peng, Li et al

in WIT Transactions on Ecology and the Environment (2011), 154

Although cellulosic biomass offers a promising alternative as an abundant renewable resource in the production of biofuels and platform chemicals, so far only a few studies have reported its aqueous-phase ... [more ▼]

Although cellulosic biomass offers a promising alternative as an abundant renewable resource in the production of biofuels and platform chemicals, so far only a few studies have reported its aqueous-phase conversion into glucose or sugar alcohols using solid chemocatalysts. The principal reason is that these polymeric biomolecules with semi-crystalline structure cannot penetrate the pores of conventional heterogeneous chemocatalysts. New advances in the conversion of cellulose thus require the design of efficient multifunctional catalytic systems with sterically accessible acid and metal sites. [less ▲]

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