In this work, methane detection is performed on the 2ν(3) and ν(2) + 2ν(3) absorption bands in the Near-Infrared (NIR) wavelength region using an all-fibre optical sensor. Hollow-core photonic bandgap fibres (HC-PBFs) are employed as gas cells due to their compactness, good integrability in optical systems and feasibility of long interaction lengths with gases. Sensing in the 2ν(3) band of meth...

High quality reference data from diffusion Monte Carlo calculations are presented for bulk sI methane hydrate, a complex crystal exhibiting both hydrogen-bond and dispersion dominated interactions. The performance of some commonly used exchange-correlation functionals and all-atom point charge force fields is evaluated. Our results show that none of the exchange-correlation functionals tested a...

An interaction potential at different orientation for the CH4 and CO2 complex was derived at theB3LYP level of theory and 6-31+G* basis sets. The potential energy surface was computed on somemolecular geometries. The complete basis set limit of the interaction energies were fitted to wellknownanalytical functions. To determine the second virial coefficients B, U(r) is used to obtain themodel’s ...

van der Waals density functional theory (vdW-DFT) and semiempirical grand canonical Monte Carlo (GCMC) calculations are used to predict the thermodynamics and methane storage capacity of 18 metal-substituted variants of the metal−organic framework (MOF) M-DOBDC (DOBDC = 2,5-oxidobenzene-1,4dicarboxylate). Methane adsorption enthalpies (ΔH) on the benchmark Mgand NiDOBDC systems were calculated ...

Merino ewes (n 108) joined to a single sire were allocated into three flocks, with ewes in one flock being chemically defaunated in the second month of gestation. Single lambs born to defaunated ewes (BF lambs) were heavier at birth and at weaning than lambs born to faunated ewes (F lambs). After weaning, all BF and F lambs were individually housed then half of the F lambs were chemically defau...

The Oxidative Coupling of Methane (OCM) over M-Na-Mn/SiO2 catalysts (M=W, Cr, Nb and V) was investigated using a continuous-flow quartz reactor at 775°C, 1 atm and 100 cm3min-1 gas flow rates, and correlated with the observed structure and redox properties.The interaction effects of the metal-metal and metal-support on the...

Solubility of hydrocarbons in water is important due to ecological concerns and new restrictions on the existence of organic pollutants in water streams. Also, the creation of a thermodynamic model has required an advanced study of the phase equilibrium between water (as a basis for the widest spread muds and amines) and gas hydrocarbon phases in wide temperature and pressure ranges. Therefore,...

the aim of the present paper was to assess the maximum biochemical methane potential (bmp) of municipal solid waste. a fresh stock of the biodegradable fraction of municipal solid waste was composed based on the typical composition of biodegradable waste disposed at the landfill. bmp tests were performed under controlled conditions. the cumulative methane generation profile was corrected for me...

The physical limits for methane storage and delivery in nanoporous materials were investigated, with a focus on whether it is possible to reach a methane deliverable capacity of 315 cm(STP)/cm in line with the adsorption target established by the ARPA-E agency. Our efforts focused on how both geometric and chemical properties, such as void fraction (Vf), volumetric surface area (Sv), and heat o...