EXPERIMENTS: The solubility and electrolytic conductivity for binary and ternary surfactant mixtures of MES with anionic sodium alpha olefin sulfonate (AOS) and sodium lauryl ether sulfate with two ethylene oxide groups (SLES-2EO) at 5 °C during long-term storage were measured. Phase diagrams were established; a general phase separation theoretical model for their explanation was developed and checked experimentally.
FINDINGS: The binary and ternary phase diagrams for studied surfactant mixtures include phase domains: mixed micelles; micelles + crystallites; crystallites, and molecular solution. The proposed general phase separation model for ionic surfactant mixtures is convenient for construction of such complex phase diagrams and provides information on the concentrations of all components of the complex solution and on the micellar electrostatic potential. The obtained maximal MES mole fraction of transparent micellar solutions could be of interest to increase the range of applicability of MES-surfactants.
THEORY: We present a high-fidelity, image-based nonequilibrium computational model to quantify and visualize the mass transport as well as the deactivation process of a core-shell polymeric microreactor. In stark contrast with other published works, our microstructure-based computer simulation can provide a single-particle visualization with a micrometer spatial accuracy.
FINDINGS: We show how the interplay of kinetics and thermodynamics controls the product-induced deactivation process. The model predicts and visualizes the non-trivial, spatially resolved active catalyst phase patterns within a core-shell system. Moreover, we also show how the microstructure influences the formation of foulant within a core-shell structure; that is, begins from the core and grows radially onto the shell section. Our results suggest that the deactivation process is highly governed by the porosity/microstructure of the microreactor as well as the affinity of the products towards the solid phase of the reactor.
EXPERIMENT: Geological formations contain organic acids in minute concentrations, with the alkyl chain length ranging from C4 to C26. To fully understand the wetting characteristics of H2 in a natural geological picture, we aged mica mineral surfaces as a representative of the caprock in varying concentrations of organic molecules (with varying numbers of carbon atoms, lignoceric acid C24, lauric acid C12, and hexanoic acid C6) for 7 days. To comprehend the wettability of the mica/H2/brine system, we employed a contact-angle procedure similar to that in natural geo-storage environments (25, 15, and 0.1 MPa and 323 K).
FINDINGS: At the highest investigated pressure (25 MPa) and the highest concentration of lignoceric acid (10-2 mol/L), the mica surface became completely H2 wet with advancing (θa= 106.2°) and receding (θr=97.3°) contact angles. The order of increasing θa and θr with increasing organic acid contaminations is as follows: lignoceric acid > lauric acid > hexanoic acid. The results suggest that H2 gas leakage through the caprock is possible in the presence of organic acids at higher physio-thermal conditions. The influence of organic contamination inherent at realistic geo-storage conditions should be considered to avoid the overprediction of structural trapping capacities and H2 containment security.