Efficient carbon capture requires the design of new materials with high CO2 selectivity and gas adsorption capacity that can be incorporated into existing industrial processes. Porous liquids (PLs) are promising candidate materials that consist of a nanoporous host and a solvent forming a liquid with permanent porosity based on exclusion of the solvent from the interior of the nanoporous host. Stable PLs are based on solvent-nanoporous host interactions, which can be evaluated through molecular simulations. Here, time- and temperature-dependent density functional theory simulations were performed between four solvents, 2-bromophenol, 4-methylphenol, 2,4-dimethylphenol, and cyclohexanone and the CC13 porous organic cage (POC) as a prototypical PL composition. Overall, minimal reactions occurred in the PL including no changes in the POC structure. Additionally, POC-solvent coordination occurred through interactions of neighboring functional groups such as methyl/bromide and hydroxyl on the solvent molecules with the POC surface. Therefore, the location rather than the number of functional groups on the solvent molecule controls the POC-solvent interactions. Additionally, the POC pore window contracted or expanded up to 8% during solvation, which correlates with the experimental solubility and static solvent-POC binding, where solvents that caused less contraction of the POC pore window increased POC solubility. These results allow for the design of optimized POC-based PL compositions based on solvent-nanoporous host binding and variation in the pore window during solvation.
This report documents analysis to determine whether a hydrogen jet flame impinging on a tunnel ceiling structure could result in permanent damage to the Callahan tunnel in Boston, Massachusetts. This tunnel ceiling structure consists of a passive fire protective board supported by stainless steel hangers anchored to the tunnel ceiling with epoxy. Three types of fire protective boards were considered to determine whether heat from the flame could reach the stainless-steel hangers and the epoxy and cause the ceiling structure to collapse. Heat transfer analyses performed showed that the temperature remains constant where the steel hangers are attached to the passive fire protective board. According to these results, the passive fire protective board should provide adequate protection to the tunnel structure in this release scenario. Tunnel structures with similar suspended fire-resistant liner board materials should protect the integrity of the structure against the extremely low probability of an impinging hydrogen jet flame.
Asymmetric scattering is a phenomenon in which the field scattered from a discontinuity is dependent on the direction of incidence. In waveguide systems such as elastic plates, the existence of multiple propagating modes provides a platform to explore asymmetric scattering through direction-dependent mode coupling. This paper describes this concept in the context of reciprocal systems and how to utilize it in a general manner.
It is commonly assumed that cleaning photovoltaic (PV) modules is unnecessary when the inverter is undersized because clipping will sufficiently mask the soiling losses. Clipping occurs when the inverter's AC size is smaller than the overall modules' DC capacity and leads to the conversion of only part of the PV-generated DC energy into AC. This study evaluates the validity of this assumption, theoretically investigating the current magnitude of clipping and its effect on soiling over the contiguous United States. This is done by modelling energy yield, clipping and soiling across a grid of locations. The results show that in reality, under the current deployment trends, inverter undersizing minimally affects soiling, as it reduces these losses by no more than 1%absolute. Indeed, clipping masks soiling in areas where losses are already low, whereas it has a negligible effect where soiling is most significant. However, the mitigation effects might increase under conditions of lower performance losses or more pronounced inverter undersizing. In any case, one should take into account that degradation makes clipping less frequent as systems age, also decreasing its masking effect on soiling. Therefore, even if soiling was initially mitigated by the inverter undersizing, its effect would become more visible with time.