A new, energy-based descriptor for porous materials is highly predictive hydrogen adsorption using an interpretable regression model.

Computational high-throughput screening using molecular simulations is a powerful tool for identifying top-performing metal–organic frameworks (MOFs) gas storage and separation applications. Accurate partial atomic charges are often required to model the electrostatic interactions between MOF adsorbate, especially when adsorption involves molecules with dipole or quadrupole moments such as water CO2. Although ab initio methods can be used calculate accurate charges, these impractical large...

Satellite-derived aerosol data sets, such as those provided by NASA's Moderate Resolution Imaging Spectroradiometer (MODIS) instruments, are greatly improving our understanding of global optical depth (AOD). Yet, there sampling issues. MODIS' specific orbital geometry, convolved with the need to avoid bright surfaces (glint, desert, clouds, etc.), means that AOD can be under- or over-sampled in places. When deriving downstream products, daily monthly gridded AOD, one must consider spatial...

Deep convective clouds (DCCs) are ideal visible calibration targets because they bright nearly isotropic solar reflectors located over the tropics and can be easily identified using a simple infrared threshold. Because all satellites view DCCs, DCCs provide opportunity to uniformly monitor stability of operational sensors, both historical present. A collective DCC anisotropically corrected radiance approach is used construct monthly probability distribution functions (PDFs) sensor stability....

Monitoring and adjusting calibrations of various satellite imagers is often exacerbated by differences in their spectral response functions (SRFs). To help account for disparities among imagers, a web-based band difference correction calculator has been developed to characterize the relationship between specified pair imager channels hyperspectral wavelength range 240-1750 nm. These adjustment factors (SBAFs) are derived convolving data from SCIAMACHY instrument with SRFs reference target...

The latest CERES FM-5 instrument launched onboard the S-NPP spacecraft will use VIIRS visible radiances from NASA Land Product Evaluation and Analysis Tool Elements (PEATE) product for retrieving cloud properties associated with its TOA flux measurement. In order to provide climate quality datasets, retrieved must be consistent throughout record, which is dependent on calibration stability of imager. This paper assesses reflective solar bands using Libya-4 desert deep convective clouds...

The Moderate Resolution Imaging Spectroradiometer (MODIS) Calibration Team has recently released the Collection 6 (C6) radiances, which offer broad improvements over 5 (C5). recharacterization of solar diffuser, lunar measurements, and scan mirror angle corrections removed most visible channel calibration drifts. band stability was validated Libyan Desert, Dome-C, deep convective cloud (DCC) invariant Earth targets, for wavelengths less than 1 μm. lifetime Terra Aqua C6 is both within 1%,...

The Clouds and the Earth’s Radiant Energy System (CERES) project relies on geostationary (GEO) imager derived TOA broadband fluxes cloud properties to account for regional diurnal fluctuations between Terra Aqua CERES MODIS measurements. Anchoring GEO visible calibration reference stability is critical consistent retrievals across 16 imagers utilized in record. Edition 4A used ray-matched radiance pairs over all-sky tropical ocean (ATO-RM) transfer imagers. primary ATO-RM was compared with...

In this article we employ a multiscale computational framework to design zeolites with competitive performance in post-combustion carbon capture. The efficiency of CO2 capture from flue gas critically depends on the adsorption properties adsorbent material. recent studies, search for best performing materials has been predominantly confined Metal-Organic Frameworks (MOFs), due wide diversity their characteristics. Inspired by MOFs and properties, sought produce similar variety isotherms...

Abstract The Clouds and the Earth’s Radiant Energy System (CERES) project relies on geostationary imager–derived TOA broadband fluxes cloud properties to account for regional diurnal fluctuations between Terra Aqua CERES MODIS measurements. employs a ray-matching calibration algorithm in order transfer (GEO) imagers, thereby allowing derivation of consistent retrievals across 16 GEO imagers utilized record. Edition 4 processing scheme grants opportunity recalibrate record using an improved...

Oceanic eddies have warm or cold temperatures and high low sea surface height (SSH) at the center depending upon direction of rotation. However, since Bay Bengal waters are highly stratified, temperature (SST) gradients may not be detectable even though subsurface sections SSH show prominent eddy signatures. In this investigation, observations from TOPEX altimeter data expendable bathy thermograph (XBT) along Madras‐Andamans track been analyzed to study eddies. Several cyclonic anticyclonic...

Abstract The 35-yr NOAA Advanced Very High Resolution Radiometer (AVHRR) observation record offers an excellent opportunity to study decadal climate variability, provided that all participating AVHRR instruments are calibrated on a consistent radiometric scale. Because of the lack onboard calibration systems, solar imaging channels must be vicariously using invariant Earth targets as reference source. greatest challenge in calibrating dataset is orbit degradation satellites, which eventually...

A desert daily exoatmospheric radiance model (DERM) based on a well-calibrated (reference) geostationary Earth orbit (GEO) satellite visible sensor can be used to transfer the calibration (target) GEO located at same equatorial longitude location. The DERM is reference radiances observed over single pseudoinvariant site (PICS) being that angular conditions are repeated annually for any historical or successive colocated GEO. GEO-specific PICSs in study first inspected using Aqua-MODerate...

Tropical deep convective clouds (DCC) are an excellent invariant target for vicarious calibration of satellite visible (VIS) and near-infrared (NIR) solar bands. The DCC technique (DCCT) is a statistical approach that collectively analyzes all identified pixels on monthly basis. reflectance in VIS NIR spectrums mainly function cloud optical depth, provides stable mode. However, absorption shortwave infrared (SWIR) bands, the response found to exhibit large seasonal cycles make implementation...

We present a fast and accurate, semi-analytical method for predicting hydrogen adsorption in nanoporous materials. For any temperature pressure, the adsorbed amount is calculated as an integral over energy density of sites (guest-host interactions) plus average guest-guest term. The guest-host interaction using classical force field with modelled single-site probe. approximated coordination number, which regressed Gaussian Process Regression (GPR). Local at each site then Langmuir isotherm,...

There are over 25 years of historical satellite data available for climate analysis. The needs to be properly calibrated, especially in the visible, sensors with no onboard calibration. Accurate vicarious calibration satellites relies on invariant targets, such as moon, Dome C, and deserts. Deep convective clouds (DCC) also show promise being a stable or predictable target viewable by all satellites, since they behave solar diffusers. However DCC have not been well characterized Ten...

This paper describes the satellite data processing and services that constitute current functionalities of A-Train Data Depot. We first provide a brief introduction to original geometrical intricacies platforms instruments constellation then proceed with description our collocation-processing algorithm provides subsets facilitate synergistic use various instruments. Finally, we present some sample image products from web-based Giovanni tool which allows users display, compare, download...

Spectral band differences between sensors can complicate the process of intercalibration a visible sensor against reference sensor. This be best addressed by using hyperspectral whenever possible because they used to accurately mitigate differences. paper demonstrates feasibility operational Scanning Imaging Absorption Spectrometer for Atmospheric Cartography (SCIAMACHY) large-footprint radiances calibrate geostationary Earth-observing (GEO) sensors. Near simultaneous nadir overpass...

Metal-organic frameworks (MOFs) are porous crystalline materials with attractive properties for gas separation and storage. Their remarkable tunability makes it possible to create millions of MOF variations but creates the need fast material screening identify promising structures. Computational high-throughput (HTS) is a solution, its usefulness tied accurate predictions adsorption properties. Accurate simulations often require an description electrostatic interactions, which depend on...

Molecular diffusion is commonly found to slow down with increasing molecular size. Deviations from this pattern occur in some host materials pore sizes approaching the diameters of guest molecules. A variety theoretical models have been suggested explain deviations pattern, but robust experimental data are scarcely available. Here, we present such data, obtained by monitoring chain length dependence uptake n-alkanes zeolitic imidazolate framework ZIF-4. monotonic decrease diffusivity ethane...

MODIS consists of a cross-track, two-sided scan mirror, whose reflectance is not uniform but function angle incidence (AOI). This feature, known as response versus scan-angle (RVS), was characterized for all reflective solar bands both instruments prior to launch. The RVS characteristic has changed on orbit, which must be tracked precisely over time ensure the quality products. characterization support team utilizes onboard calibrators and earth view responses from multiple pseudoinvariant...

Abstract Consistent cross-sensor Advanced Very High Resolution Radiometer (AVHRR) calibration coefficients are determined using desert, polar ice, and deep convective cloud (DCC) invariant Earth targets. The greatest AVHRR challenge is the slow orbit degradation of host satellite, which precesses toward a terminator orbit. This issue solved by characterizing targets with NOAA-16 observed radiances that have been referenced to Aqua Moderate Imaging Spectrometer (MODIS) simultaneous nadir...

Observations have been made of non‐local thermodynamic equilibrium (non‐LTE) limb radiance at 923 cm −1 (10.83 μm) using the Cryogenic Limb Array Etalon Spectrometer (CLAES) aboard Upper Atmosphere Research Satellite (UARS). We study relative contributions from CO 2 and O 3 in three CLAES channels examine correlation with solar zenith angle. The moderate spectral resolution allows us to discriminate individual isotopic hot bands. analysis shows good agreement between measured calculated...

Genetic variability and diversity in pearl millet (Pennisetum glaucum (L.) R.Br.) was studied with 104 germplasm accessions of different origin. Analysis variance indicated significant variances among the for all characters studied. The maximum variation recorded number tillers, leaves, leaf length breadth, panicle length, weight, stem ratio, green fodder yield, crude protein content grain yield indicates possibilities improving these through phenotypic selection development dual purpose...