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OsN crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Os3+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Os–N bond lengths are 2.05 Å. N3- is bonded in a 4-coordinate geometry to four equivalent Os3+ atoms.
OsN crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Os3+ is bonded in a rectangular see-saw-like geometry to four equivalent N3- atoms. There are a spread of Os–N bond distances ranging from 2.01–2.10 Å. N3- is bonded in a rectangular see-saw-like geometry to four equivalent Os3+ atoms.
OsN is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Os3+ is bonded to six equivalent N3- atoms to form a mixture of corner and edge-sharing OsN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Os–N bond lengths are 2.18 Å. N3- is bonded to six equivalent Os3+ atoms to form a mixture of corner and edge-sharing NOs6 octahedra. The corner-sharing octahedral tilt angles are 0°.
OsN is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Os3+ is bonded to four equivalent N3- atoms to form corner-sharing OsN4 tetrahedra. All Os–N bond lengths are 1.99 Å. N3- is bonded to four equivalent Os3+ atoms to form corner-sharing NOs4 tetrahedra.
OsN crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Os3+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Os–N bond lengths are 2.03 Å. N3- is bonded in a square co-planar geometry to four equivalent Os3+ atoms.
Organic solvent nanofiltration (OSN) is an emerging membrane technology that could revolutionize chemical separations in numerous vital industries. Despite its significance, there remains a lack of fundamental understanding of solvent transport mechanisms in OSN membranes. Here, we use an extended Flory-Rehner theory, nonequilibrium molecular dynamic simulations, and organic solvent transport experiments to demonstrate that solvent flow in OSN membranes is driven by a pressure gradient. We show that solvent molecules migrate as clusters through interconnected pathways within the membrane pore structure, challenging the widely accepted diffusion-based view of solvent transport in OSN. We further reveal that solvent permeance is dependent on solvent affinity to the OSN membrane, which, in turn, controls the membrane pore structure. Our fundamental insights lay the scientific groundwork for the development of next-generation OSN membranes.
Covalent organic framework (COF) membranes for organic solvent nanofiltration (OSN) have attracted growing interest due to their high stability, well-defined pore size, and controllable pore functionality. In aqueous nanofiltration processes, solution pH has a significant effect on membrane permeability, selectivity, and fouling. However, our understanding of pH effects on OSN processes is still limited. In this work, we present experimental and reactive force field molecular dynamics (ReaxFF MD) simulation results on the effect of pH on OSN using a well-characterized carboxylated COF (C-COF) membrane. Filtration experimental and modeling results both demonstrate that pH changes can affect solvent permeance and solute rejection dramatically. Specifically, methanol permeance decreases with the increase of NaOH and HCl concentration, respectively. When Alcian Blue dye was used as the solute in methanol, the selectivity increased from 23% to 98% when changing the feed pH from 2.2 to 10.1, respectively. While ReaxFF MD results show that C-COF solvated pore size is only marginally affected by the pH of solution, methanol diffusion is affected by the size of methanol-solvated Na + and Cl - ions, which increase with increasing Na + and Cl - concentrations. Solution pH change also affected solute solvation layer thicknesses and C-COF pore charges, contributing to the significant AB dye selectivity increase with pH increase. To summarize, we have shown that dramatic changes in C-COF selectivity are not anomalous in OSN, but are instead controllable by varying feed solution pH to modify solvated solute radii and surface charge.
Abstract An organic semiconductor nanoparticle (OSN) with surface charge strategy is proposed, which displays excellent photothermal conversion performance. The donor–acceptor hybrid organic semiconductor Y6 is selected as a photothermal chromophore into nanoparticle by self‐assembly, which affords long wavelength absorption, sub‐bandgap emission, and high photon‐to‐thermal conversion. Y6 in OSN adopts closed packing comparing to that in single crystal. The surface charge in OSN causes super‐quenching of the photon excitons, which enhances the nonradiative transition to improve photothermal effect. Lower energy level electronic states are created, which breaks up the bandgap limit and leads to long wavelength emission over 1100 nm. Photothermal therapy and photoacoustic imaging are applied successfully, indicating the success of the new methodology in designing photothermal conversion materials.
Online social networks (OSNs) have become a powerful tool to study collective human responses to extreme events such as earthquakes. Most previous research concentrated on a single platform and utilized users’ behaviors on a single platform to study people’s general responses. In this study, we explore the characteristics of people’s behaviors on different OSNs and conduct a cross-platform analysis of public responses to earthquakes. Our findings support the Uses and Gratification theory that users on Reddit and Twitter are engaging with platforms that they may feel best reflect their sense of self. Using the 2019 Ridgecrest earthquakes as our study cases, we collected 510,579 tweets and 45,770 Reddit posts (including 1437 submissions and 44,333 comments) to answer the following research questions: (1) What were the similarities and differences between public responses on Twitter and Reddit? (2) Considering the different mechanisms of Twitter and Reddit, what unique information of public responses can we learn from Reddit as compared with Twitter? By answering these research questions, we aim to bridge the gap of cross-platform public responses research towards natural hazards. Our study evinces that the users on the two different platforms have both different topics of interest and different sentiments towards the same earthquake, which indicates the necessity of investigating cross-platform OSNs to reveal a more comprehensive picture of people’s general public responses towards certain disasters. Our analysis also finds that r/conspiracy subreddit is one of the major venues where people discuss the 2019 Ridgecrest earthquakes on Reddit and different misinformation/conspiracies spread on Twitter and Reddit platforms (e.g., “Big one is coming” on Twitter and “Nuclear test” on Reddit).
Complex solvent environments continue to limit the widespread adoption of organic solvent nanofiltration (OSN) in many chemical industry applications. In this paper we employ a commercially available covalent organic framework (COF), TpPa-1, and force field models to molecularly map separation performance of TpPa-1 membrane in mixed solvents. To minimize time and length scale mismatch between atomistic modeling and experiments, solvent permeance was normalized with water in modeling and experimental results to enable direct comparison. Model outputs, such as organic solvent permeance and solute rejection rate, matched well with filtration results. Since the atomistic models assume that all mass transfer is via through-pore transport, the discrepancies between modeling and experimental results provide insights on the effect of linear polymer defects, adsorption and interstitial mass transfer on polycrystalline COF membrane performance. In sum, force field models can serve as digital twins of COF membranes to simulate separation processes while capturing the effects of COF structure, chemistry, and crystallinity on membrane performance in complex organic solvent environments. Finally, this approach will provide insight into future COF design and synthesis for persisting separation challenges.
The urban–rural divide is increasing in modern societies calling for geographical extensions of social influence modelling. Improved understanding of innovation diffusion across locations and through social connections can provide us with new insights into the spread of information, technological progress and economic development. In this work, we analyze the spatial adoption dynamics of iWiW, an Online Social Network (OSN) in Hungary and uncover empirical features about the spatial adoption in social networks. During its entire life cycle from 2002 to 2012, iWiW reached up to 300 million friendship ties of 3 million users. We find that the number of adopters as a function of town population follows a scaling law that reveals a strongly concentrated early adoption in large towns and a less concentrated late adoption. We also discover a strengthening distance decay of spread over the life-cycle indicating high fraction of distant diffusion in early stages but the dominance of local diffusion in late stages. The spreading process is modelled within the Bass diffusion framework that enables us to compare the differential equation version with an agent-based version of the model run on the empirical network. Although both model versions can capture the macro trend of adoption, they have limited capacity to describe the observed trends of urban scaling and distance decay. We find, however that incorporating adoption thresholds, defined by the fraction of social connections that adopt a technology before the individual adopts, improves the network model fit to the urban scaling of early adopters. Controlling for the threshold distribution enables us to eliminate the bias induced by local network structure on predicting local adoption peaks. Finally, we show that geographical features such as distance from the innovation origin and town size influence prediction of adoption peak at local scales in all model specifications.
In this work, the particle jetting behavior in a blast-driven dense particle bed is studied at early times. Four-way coupled Euler–Lagrange simulations are performed using a high-order discontinuous Galerkin spectral element solver coupled with a high-order Lagrangian particle solver, wherein the inter-particle collisions are resolved using a discrete element method collision model. Following the experiments of Rodriguez et al. [“Formation of particle jetting in a cylindrical shock tube,” Shock Waves 23(6), 619–634 (2013)] and the simulations of Osnes et al. [“Numerical simulation of particle jet formation induced by shock wave acceleration in a Hele-Shaw cell,” Shock Waves 28(3), 451–461 (2018)], the simulations are performed in a quasi-two-dimensional cylindrical geometry (Hele-Shaw cell). Parametric studies are carried out to assess the impact of the coefficient of restitution and the strength of the incident shock on the particle jetting behavior. The deposition of vorticity through a multiphase (gas–particle) analog of Richtmyer–Meshkov instability is observed to play a crucial role in channeling the particles into well-defined jets at the outer edge of the particle bed. This is confirmed by the presence of vortex pairs around the outer jets. Furthermore, the effect of the relaxation of the relative velocity between the two phases on the vorticity generation is explored by analyzing the correlation between the radial velocity of particles and the radial velocity of the gas at the particle location.
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Synthetic polymeric nanofiltration membrane processes offer an alternate low-energy option to energy-intensive distillation to fractionate similar size organic solvents for chemical, petroleum, food and biotechnology industries. Here, in this study, we synthesize and test a new class of structure-by-design hydrophilic polymeric brush membranes, that address the limitations of commercial polymer membranes, are tunable and exhibit commercially relevant filtration performance. Because these brush membranes are grafted by Single Electron Transfer-Living Radical Polymerization (SET-LRP) and replace statistically random phase inversion or interfacial polymerization used for synthesizing commercial polymer membranes, their porous structure can be remodeled by varying their morphology and chemistry. We graft hydroxyethyl methacrylate (HEMA) brush structures with short and long crosslinkers, demonstrate two competing phenomena - pore stiffening and opening - and obtain high selectivity at reasonable permeability for commercially relevant methanol/toluene separation. This new class of stable, tunable, and scalable membranes offers exciting opportunities to reduce energy for separation of organic solvents.