Daniel Broseta

Bio: Daniel Broseta is an academic researcher from University of Pau and Pays de l'Adour. The author has contributed to research in topics: Clathrate hydrate & Hydrate. The author has an hindex of 37, co-authored 94 publications receiving 4049 citations. Previous affiliations of Daniel Broseta include Centre national de la recherche scientifique & Institut Français.

Wettability alteration of caprock minerals by carbon dioxide

Abstract: One of the critical factors that control the efficiency of CO2 geological storage process in aquifers and hydrocarbon reservoirs is the capillary-sealing potential of the caprock. This potential can be expressed in terms of the maximum reservoir overpressure that the brine-saturated caprock can sustain, i.e. of the CO2 capillary entry pressure. It is controlled by the brine/CO2 interfacial tension, the water-wettability of caprock minerals, and the pore size distribution within the caprock. By means of contact angle measurements, experimental evidence was obtained showing that the water-wettability of mica and quartz is altered in the presence of CO2 under pressures typical of geological storage conditions. The alteration is more pronounced in the case of mica. Both minerals are representative of shaly caprocks and are strongly water-wet in the presence of hydrocarbons. A careful analysis of the available literature data on breakthrough pressure measurements in caprock samples confirms the existence of a wettability alteration by dense CO2, both in shaly and in evaporitic caprocks. The consequences of this effect on the maximum CO2 storage pressure and on CO2 storage capacity in the underground reservoir are discussed. For hydrocarbon reservoirs that were initially close to capillary leakage, the maximum allowable CO2 storage pressure is only a fraction of the initial reservoir pressure.

Molecular weight and polydispersity effects at polymer-polymer interfaces

Abstract: We study the interfacial properties of immiscible polymers, going beyond the usual approximation of infinite molecular weight, complete immiscibility. For finite molecular weights, the interfaces are broader and the interfacial tensions smaller than predicted by this approximation. These corrections are entropic effects and are significant for typical experimental stituations: they are in fact inversely proportional to the incompatibility χ AB N, where χ AB is the Flory interaction parameter between unlike (A and B) monomers and N the number of monomers per chain. In polydisperse systems, small chains accumulate slightly at the interface, lowering the interfacial tension

Are rocks still water-wet in the presence of dense CO2 or H2S?

Abstract: The various modes of acid gas storage in aquifers, namely structural, residual, and local capillary trapping, are effective only if the rock remains water-wet. This paper reports an evaluation, by means of the captive-bubble method, of the water-wet character in presence of dense acid gases (CO 2, H 2S) of typical rock-forming minerals such as mica, quartz, calcite, and of a carbonate-rich rock sampled from the caprock of a CO 2 storage reservoir in the South-West of France. The method, which is improved from that previously implemented with similar systems by Chiquet et al. (Geofluids 2007; 7: 112), allows the advancing and receding contact angles, as well as the adhesion behavior of the acid gas on the mineral substrate, to be evaluated over a large range of temperatures (up to 140°C), pressures (up to 150bar), and brine salinities (up to NaCl saturation) representative of various geological storage conditions. The water-receding (or gas-advancing) angle that controls structural and local capillary trapping is observed to be not significantly altered in the presence of dense CO 2 or H 2S. In contrast, some alteration of the water-advancing (or gas-receding) angle involved in residual trapping is observed, along with acid gas adhesion, particularly on mica. A spectacular wettability reversal is even observed with mica and liquid H 2S. These results complement other recent observations on similar systems and present analogies with the wetting behavior of crude oil/brine/mineral systems, which has been thoroughly studied over the past decades. An insight is given into the interfacial forces that govern wettability in acid gas-bearing aquifers, and the consequences for acid gas geological storage are discussed along with open questions for future work.

Viscosimetric and Neutron Scattering Study of Asphaltene Aggregates in Mixed Toluene/Heptane Solvents

Abstract: A series of viscosimetric and small-angle neutron scattering experiments on asphaltenes diluted in mixed toluene/heptane solvents has been conducted, with the purpose of characterizing the size, molecular weight, and internal structure of asphaltene aggregates as a function of solvent conditions. With increasing flocculant (i.e., heptane) content in the solvent, the intrinsic viscosities of asphaltene aggregates first decreased, went through a minimum for heptane fractions approximate to 10-20%, and then increased at the approach of flocculation. These variations paralleled those of the volume of aggregate occupied per unit mass of asphaltene, a behavior reminiscent of the Flory-Fox relationship for polymers in a solvent. This volume, proportional to the cubed radius of gyration of the aggregates divided by their molecular weight, was determined from the neutron scattering data. For increasing heptane fractions in the solvent, the molecular weight of the aggregates increased with their radius of gyration according to a power law, the exponent being in the range of 2. This exponent also characterized the self-similar internal structure of the asphaltene aggregates. With due care to the possible systematic effects of the strong polydispersity of these aggregates, these results are discussed in light of recent models of colloidal aggregation.

Dissipative particle dynamics : bridging the gap between atomistic and mesoscopic simulation

Abstract: We critically review dissipative particle dynamics (DPD) as a mesoscopic simulation method. We have established useful parameter ranges for simulations, and have made a link between these parameters and χ-parameters in Flory-Huggins-type models. This is possible because the equation of state of the DPD fluid is essentially quadratic in density. This link opens the way to do large scale simulations, effectively describing millions of atoms, by firstly performing simulations of molecular fragments retaining all atomistic details to derive χ-parameters, then secondly using these results as input to a DPD simulation to study the formation of micelles, networks, mesophases and so forth. As an example application, we have calculated the interfacial tension σ between homopolymer melts as a function of χ and N and have found a universal scaling collapse when σ/ρkBTχ0.4 is plotted against χN for N>1. We also discuss the use of DPD to simulate the dynamics of mesoscopic systems, and indicate a possible problem with...

Wetting and Spreading

Abstract: Wetting phenomena are ubiquitous in nature and technology. A solid substrate exposed to the environment is almost invariably covered by a layer of fluid material. In this review, the surface forces that lead to wetting are considered, and the equilibrium surface coverage of a substrate in contact with a drop of liquid. Depending on the nature of the surface forces involved, different scenarios for wetting phase transitions are possible; recent progress allows us to relate the critical exponents directly to the nature of the surface forces which lead to the different wetting scenarios. Thermal fluctuation effects, which can be greatly enhanced for wetting of geometrically or chemically structured substrates, and are much stronger in colloidal suspensions, modify the adsorption singularities. Macroscopic descriptions and microscopic theories have been developed to understand and predict wetting behavior relevant to microfluidics and nanofluidics applications. Then the dynamics of wetting is examined. A drop, placed on a substrate which it wets, spreads out to form a film. Conversely, a nonwetted substrate previously covered by a film dewets upon an appropriate change of system parameters. The hydrodynamics of both wetting and dewetting is influenced by the presence of the three-phase contact line separating "wet" regions from those that are either dry or covered by a microscopic film only. Recent theoretical, experimental, and numerical progress in the description of moving contact line dynamics are reviewed, and its relation to the thermodynamics of wetting is explored. In addition, recent progress on rough surfaces is surveyed. The anchoring of contact lines and contact angle hysteresis are explored resulting from surface inhomogeneities. Further, new ways to mold wetting characteristics according to technological constraints are discussed, for example, the use of patterned surfaces, surfactants, or complex fluids.

Carbon capture and storage (CCS): the way forward

Abstract: Carbon capture and storage (CCS) is broadly recognised as having the potential to play a key role in meeting climate change targets, delivering low carbon heat and power, decarbonising industry and, more recently, its ability to facilitate the net removal of CO2 from the atmosphere. However, despite this broad consensus and its technical maturity, CCS has not yet been deployed on a scale commensurate with the ambitions articulated a decade ago. Thus, in this paper we review the current state-of-the-art of CO2 capture, transport, utilisation and storage from a multi-scale perspective, moving from the global to molecular scales. In light of the COP21 commitments to limit warming to less than 2 °C, we extend the remit of this study to include the key negative emissions technologies (NETs) of bioenergy with CCS (BECCS), and direct air capture (DAC). Cognisant of the non-technical barriers to deploying CCS, we reflect on recent experience from the UK's CCS commercialisation programme and consider the commercial and political barriers to the large-scale deployment of CCS. In all areas, we focus on identifying and clearly articulating the key research challenges that could usefully be addressed in the coming decade.

Pure and Pseudo-pure Fluid Thermophysical Property Evaluation and the Open-Source Thermophysical Property Library CoolProp.

Abstract: Over the last few decades, researchers have developed a number of empirical and theoretical models for the correlation and prediction of the thermophysical properties of pure fluids and mixtures treated as pseudo-pure fluids In this paper, a survey of all the state-of-the-art formulations of thermophysical properties is presented The most-accurate thermodynamic properties are obtained from multiparameter Helmholtz-energy-explicit-type formulations For the transport properties, a wider range of methods has been employed, including the extended corresponding states method All of the thermophysical property correlations described here have been implemented into CoolProp, an open-source thermophysical property library This library is written in C++, with wrappers available for the majority of programming languages and platforms of technical interest As of publication, 110 pure and pseudo-pure fluids are included in the library, as well as properties of 40 incompressible fluids and humid air The source code for the CoolProp library is included as an electronic annex