MOLECULAR DYNAMICS SIMULATIONS OF FILLED AND EMPTY CAGE-LIKE WATER CLUSTERS IN LIQUID WATER AND THEIR SIGNIFICANCE TO GAS HYDRATE FORMATION MECHANISMS

Molecular dynamics simulations are performed to observe the evolutions of 512 and 51262 cage-like water clusters filled with or without a methane molecule immersed in bulk liquid water at 250 K and 230 K. The lifetimes of these clusters are calculated according to their Lindemann index δ (t) using the criteria of δ≥0.07. For both the filled and empty clusters, we find the dynamics of bulk water determines the lifetimes of cage-like water clusters, and that the lifetime of 512 62 cage-like cluster is the same as that of 512 cage-like cluster. Although the methane molecule indeed makes the filled cage-like cluster more stable than the empty one, the empty cage-like cluster still has chance to be long-lived compared with the filled clusters. These observations support the labile cluster hypothesis on the formation mechanisms of gas hydrates.

Impacts of climate change on seasonal extreme waves in the Northwest Atlantic using a Spatial Neural Gas clustering method

Having estimates of wave climate parameters and extreme values play important roles for a variety of different societal activities,such as coastal management,design of inshore and offshore structures,marine transport,coastal recreational activities,fisheries,etc.This study investigates the efficiency of a state-of-the-art spatial neutral gas clustering method in the classification of wind/wave data and the evaluation of extreme values of significant wave heights(Hs),mean wave direction(MWD)and mean wave periods(T0)for two 39-year time periods;from 1979 to 2017 for the present climate,and from 2060 to 2098,for a future climate change scenario in the Northwest Atlantic.These data were constructed by application of a numerical model,WAVEWATCHIII TM(hereafter,WW3),to simulate the wave climate for the study area for both present and future climates.Data from the model was extracted for the wave climate,in terms of the wave parameters,specifically Hs,MWD and T0,which were analyzed and compared for winter and summer seasons,for present and future climates.In order to estimate extreme values in the study area,a Natural Gas(hereafter,NG)clustering method was applied,separate clusters were identified,and corresponding centroid points were determined.To analyze data at each centroid point,time series of wave parameters were extracted,and using standard stochastic models,such as Gumbel,exponential and Weibull distribution functions,the extreme values for 50 and 100-year return periods were estimated.Thus,the impacts of climate change on wave regimes and extreme values can be specified.

Size estimates of nobel gas clusters by Rayleigh scattering experiments

Noble gases (argon, krypton, and xenon) are puffed into vacuum through a nozzle to produce clusters for studying laser-cluster interactions. Good estimates of the average size of the argon, krypton and xenon clusters are made by carrying out a series of Rayleigh scattering experiments. In the experiments, we have found that the scattered signal intensity varied greatly with the opening area of the pulsed valve. A new method is put forward to choose the appropriate scattered signal and measure the size of Kr cluster.

Design and experimental testing of a gas cluster ion accelerator

A gas cluster ion beam（GCIB） system with cluster energy up to 12 keV has been designed. To facilitate pumping of the nozzle chamber and increased pressure of the gas source up to 10 atm, pulse mode was used for the gas feeding. Argon was employed as the working gas. To separate monomers from clusters, both electromagnet and retarding electrode were utilized. A maximal pulsed cluster current of 90 nA has been achieved. The shape of pulsed ion beam currents has been analyzed in detail at different applied magnetic and retarding electric fields.

Palladium-Carbon Composite Nanoparticle Films with Enhanced Electrocatalytic Activity for Hydrogen Peroxide Sensors

A nanocomposite electrocatalyst was prepared with the method of cluster beam deposition of palladium nanoparticle thin lms on carbon nanoparticle supporting layers and used as sensitive nonenzyme hydrogen peroxide sensors. An enhancement on the electrocatalytic activity of the palladium nanoparticles toward H2O2 reduction was observed, which was related to the coverage of the carbon nanoparticles. With one monolayer of carbon nanoparticles, the H2O2 detection sensitivity reached the maximum, which was more than twice of that of the pure Pd nanoparticles.

Commensurate stacking within confined ultramicropores boosting acetylene storage capacity and separation efficiency

Developing advanced porous materials possessing both a high storage capacity and selectivity for acetylene(C_(2)H_(2))remains challenging but a sought-after endeavor.Herein we show a strategy involving synergic combination of spatial confinement and commensurate stacking for enhanced C_(2)H_(2)storage and capture via maximizing the host–guest and guest–guest interactions.Two ultramicroporous metal-organic frameworks(MOFs),MIL-160 and MOF-303 are elaborately constructed to exhibit ultrahigh C_(2)H_(2)uptakes of 235 and 195 cm^(3)·g^(−1),respectively,due to the confinement effect of the suitable pore sizes and periodically dispersed molecular recognition sites.Specially,C_(2)H_(2)capacity of MIL-160 sets a new benchmark for C_(2)H_(2)storage.The exceptional separation performances of two materials for C_(2)H_(2)over both CO_(2)and ethylene(C_(2)H_(4)),which is rarely observed,outperform most of the benchmark materials for C_(2)H_(2)capture.We scrutinized the origins of ultrahigh C_(2)H_(2)loading in the confined channels via theoretical investigations.The superior separation efficiency for C_(2)H_(2)/CO_(2)and C_(2)H_(2)/C_(2)H_(4)mixtures with unprecedented C_(2)H_(2)trapping capacity(>200 L·kg^(−1))was further demonstrated by dynamic breakthrough experiments.