相关论文: Modelling the Pb release during Portland cement al…
We present a detailed study of chemical freeze-out in p-p, C-C, Si-Si and Pb-Pb collisions at beam momenta of 158A GeV as well as Pb-Pb collisions at beam momenta of 20A, 30A, 40A and 80A GeV. By analyzing hadronic multiplicities within the…
Polymer-derived ceramics combine the thermal stability of ceramics with the versatile properties of carbon domains, but modeling their atomic-scale evolution during processing remains elusive due to the limitations of traditional…
This work is the first computational study of proppant leak-off through coal cleats that accounts for proppant retention in cleats, occlusion formation at cleat entrances, the resulting control of fluid leak-off, and the influence of…
A lattice gas model is proposed for investigating the release of drug molecules on devices with semi-permeable, porous membranes in two and three dimensions. The kinetic of this model was obtained through the analytical solution of the…
Among the numerous questions that arise concerning the exploitation of petroleum from unconventional reservoirs, lie the questions of the composition of hydrocarbons present in deep seated HP-HT reservoirs or produced during in-situ…
Accumulation of plastic waste is a major environmental problem. Enzymes, particularly esterases, play an important role in the biodegradation of polyesters. These enzymes are usually only active on aliphatic polyesters, but a few have…
Spontaneous Potentials associated with volcanic activity are often interpreted by means of the electrokinetic potential, which is usually positive in the flow direction (i.e. Zeta potential of the rock is negative). The water-rock…
Bio-chemical reactions enable the production of biomimetic materials such as sandstones. In the present study, microbiologically-induced calcium carbonate precipitation (MICP) is used to manufacture laboratory-scale specimens for fracture…
Pressure-solution is a chemo-mechanical process, involving dissolution at grain/asperity contacts and precipitation away from them. It induces a compaction in time of rocks and sediments. The present study investigates numerically the…
Proton exchange membrane fuel cells (PEMFCs) are a promising clean energy technology, offering high efficiency and near-zero operational emissions for stationery and automotive applications. However, their widespread adoption remains…
The results of a macro-scale experimental study performed on a hardened class G cement paste [Ghabezloo et al. (2008) Cem. Con. Res. (38) 1424-1437] are used in association with the micromechanics modelling and homogenization technique for…
We investigate the universality of entanglement kinetics in polymer melts. We compare predictions of a recently developed constitutive equation for disentanglement to molecular dynamics simulations of both united-atom polyethylene and…
Perovskite solid solutions that have a chemical composition A(C$_x$D$_{1-x})$O$_3$ with transition metals C and D substitutionally occupying the B site of a perovskite lattice are attractive in various applications for their dielectric,…
Carbon mineralization in basaltic rocks may offer rapid, permanent \ce{CO2} storage, yet fundamental controls on reactive transport and precipitation patterns remain poorly understood. This study integrates flow-through experiments at…
Rock weathering is a common phenomenon in most engineering applications, such as underground storage or geothermal energy. This work offers a discrete element modelization of the problem considering cohesive granular material and debonding…
We demonstrate that hierarchical backmapping strategies incorporating generic blob-based models can equilibrate melts of high-molecular-weight polymers, described with chemically specific, atomistic, models. The central idea behind these…
Due to its high energy efficiency and environmental friendliness, solid-state cooling based on the barocaloric (BC) effect represents a promising alternative to traditional refrigeration technologies relying on greenhouse gases. Plastic…
We present a field theory to describe the composition of a surface spontaneously exchanging matter with its bulk environment. By only assuming matter conservation in the system, we show with extensive numerical simulations that, depending…
We have studied the apo (Fe3+ free) form of periplasmic ferric binding protein (FbpA) under different conditions and we have monitored the changes in the binding and release dynamics of H2PO4- that acts as a synergistic anion in the…
Clay-rich soils and sediments are key components of near-surface systems, influencing water retention, ion exchange, and structural stability. Their complex dielectric behavior under moist conditions arises from electrostatic interactions…