Narrow Results

The carbon structures of phases A and B of methane are investigated through classical molecular dynamics simulations using optimized potentials for liquid simulations all-atom force fields as well as ReaxFF reactive force fields. Both final thermodynamic states were obtained by the proper ramping of temperature and pressure through well-known regions of methane’s phase diagram using the isothermal–isobaric (NPT) ensemble. Our calculated structures are in good agreement with very recent experimental data. The knowledge of these phases is the basis for the study of methane at high pressures.

Metallization of methane (CH₄) has always been an interesting issue. Here, we report a study on the structure, metallization and superconductivity in K-doped CH₄ under pressure, based on the particle swarm optimization, density functional theory, and density functional perturbation theory. Summarizing the thermodynamical and dynamical stabilities, the electronic band structures, and the electron–phonon interaction calculations, we predicted that K-doped CH₄ in $P{2}_1∕m$ space-group is a metal and a possible superconductor in the pressure range of $70-90$ GPa. The superconducting critical temperature is about 12.7 K at 80 GPa. It was found that the charge transfer from K to CH₄ drives the metallization and mainly contributes to the electron–phonon interaction. The result confirms that CH₄ can become a metal and superconductor under the electron doping and the relative low pressure.

To explore the high-temperature superconductor at low pressures, we have investigated the crystal structures, electronic properties, and possible superconductivity in the case of methane (CH₄) doped by lithium in the pressure range of $0-100$GPa, based on the first-principles calculations. The results show that Li-intercalated CH₄ (Li_x(CH₄)${}_{1-x}$) can realize metallization and superconductivity at low pressures, even 5GPa. We find that there is a charge transfer between Li and CH₄, but the metallization is driven by the change of crystal field induce by doping instead of charge transfer. The critical temperture is predicted from 3.8K at 5GPa for LiCH₄ to 12.1K at 100GPa for Li(CH₄)₄. The low-pressure superconductivity of Li_x(CH₄)${}_{1-x}$ can be further optimized by adjusting component and pressure.

Density functional theory method is used to explore the mechanism of dissociative adsorption of methane (CH₄) on S_A type stepped Si(100) surface. Two reaction paths are described that produce CH₃ and hydrogen atom fragments adsorbed on the dimer bonds present on each terraces. It has been found that, in the initial stage of the carbonization of stepped Si(100) surface, the CH₃ and H fragments bound to the Si dimer atoms by following the first reaction path.

According to new research, methane emissions contribute 25 percent more to global warming than previously assumed. Methane is a crucial precursor gas of tropospheric ozone, a dangerous air pollutant. Methane emissions are responsible for almost half of the reported growth in tropospheric ozone levels on a global scale. But it plays a vital role as an energy source, therefore, the study of methane cut reservoirs is essential. The injection of air can extract additional energy in high methane-cut reservoirs. The analysis is made to compute the theoretical potential of low air flooding in high methane-cut reservoirs. Computational Fluid Dynamics (CFD) is used to study the impact of injecting air on methane. The presence of carbon dioxide and oxygen when injected into the methane cut reservoir produces high-pressure air injection that may cause significant safety damage such as the potential for corrosion or explosion. Past field studies and reported solutions indicate that there are no insurmountable problems in the execution of high-pressure air injection. The results are harmful and need to take useful safety precautions for the engineers who are interested in experiments. The users of CFD use mathematical laws and models that exactly represent the phenomenon they are dealing with. The pressure induced by the air injection is simulated with the help of the Finite Volume Method (FVM). The velocity field near the outlet arises as higher pressure of air from the inlet is observed, whereas, the pressure near the outlet declines. The findings of this study can help for better understanding of outflow of methane from methane reservoirs.

In this investigation, we have studied the kinetics and mechanism of photocatalytic conversion of methane into methanol reaction over the MoO₃(010) surface using a computer simulation method. Methane and oxygen as the reactants are used at room temperature and atmospheric pressure under UV photoirradiation of the catalyst. According to our data analysis, the order of methanol formation reaction with respect to CH₄ and O₂ was determined to be l=0.30 and m=-1.03, respectively. The highest methanol formation rate (TOF) value was obtained at about 0.05 molecule/s.site in a range of 25–35 W/cm² incident light intensity with energy hν≥E_g. The selectivity of CH₃OH was increased with increasing partial pressure of CH₄, while the selectivity of CHOH was decreased. The effect of light intensity on the CH₃OH selectivity was also studied under different P_CH4/P_O2 ratios, namely 0.9, 1.5 and 2.6. The highest CH₃OH selectivity was obtained at 1.5 ratio.

We have studied the influence of the methane gas (CH₄) flow rate on the composition and structural and electrical properties of nitrogenated amorphous carbon (a-C:N) films grown by surface wave microwave plasma chemical vapor deposition (SWMP-CVD) using Auger electron spectroscopy, X-ray photoelectron spectroscopy, UV-visible spectroscopy, four-point probe and two-probe method resistance measurement. The photoelectrical properties of a-C:N films were also studied. We have succeeded to grow a-C:N films using a novel method of SWMP-CVD at room temperature and found that the deposition rate, bonding and optical and electrical properties of a-C:N films are strongly dependent on the CH₄ gas sources, and the a-C:N films grown at higher CH₄ gas flow rate have relatively high electrical conductivity for both cases of in dark and under illumination condition.

In order to analyze the adsorption capacities of different solid substrates, we present a multi-step method to separately study the isotherm at different pressure ranges (steps). The method is based on simple gas isotherm measurements (nitrogen, methane, carbon dioxide, argon, and oxygen) and is tested to describe the adsorption process and characterize a graphitized surface (GCB) and two different granular activated carbons (GAC). The GCB isotherms are described as a sum of Fowler-Guggenheim-Langmuir shifted curves; isotherm behaviors are quite similar at different temperatures, but change below a certain threshold. In GAC the first steps show the same adsorption characteristics at low pressures (Dubinin's description), but this behavior changes at higher pressure regimes, which allows one to elucidate how heterogeneous the surfaces are or how strong the interactions between adsorbed molecules are for this marginal adsorption to occur. We tested different approaches (from BET multilayer to Aranovich) and found quite different features. We finally conclude that if the description of the adsorption on complex substrates, such as those presented here, is carried using only one model, e. g. Dubinin in case of GACs, the resulting characteristics of the adsorbent would be very biased.

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Transformation of methane, the most abundant and the least reactive compound of natural gas to valuable products is one of the most difficult chemical problems of great practical importance. In Nature, methane monooxygenase enzymes transform methane to methanol in water under physiological conditions. However, chemical analogs for such a transformation are unknown. Here, we show the mild and efficient aqueous oxidation of methane by hydrogen peroxide, an ecologically and biologically relevant oxidant catalyzed by supported μ-nitrido diiron phthalocyanine dimer, (FePc^tBu₄)₂N. This bio-inspired complex containing a stable Fe–N–Fe motif catalyzes the oxidation of methane to methanol which is further transformed to formaldehyde and formic acid as is demonstrated using ¹³CH₄ and ¹⁸O labelling. (FePc^tBu₄)₂N-H₂O₂ system shows a high activity in the oxidation of benzene to phenol which occurs via formation of benzene oxide and exhibits NIH shift typically accociated with biological oxidation. Mechanistic features of oxidation of methane and benzene as well as detected intermediate hydroperoxo- and high valent oxo diiron complexes support an O-atom transfer reaction mechanism relevant to bio-oxidation.

The aim of this study was to illustrate the methane gas impacts on AL-Russifa region, Jordan, in addition to the opportunities and obstacles faced. AL-Russifa city suffers serious health and environmental problems as a result of the methane gas emissions from Al-Russifa Landfill.

The uncontrolled methane emissions and the potential of collection, use for producing electricity and the existing activities that include the biogas plant and regulations were analyzed and recommendations presented. The required institutional management and social structure that promote the proper management of solid waste that affect methane emissions need to be advanced through technological exchanges and training programs. Improving the existing biogas project and the establishment of new ones can reduce green house gases while generating electricity; thus reducing Jordan's dependency on imported oil.

The lack of financial, technical expertise and awareness among public and private sectors, in addition to the bureaucracy and the short time pay back phenomena are all considered as constraints for achieving such prosperous environmental projects. Establishing upgraded institutions will need to embrace improved capability to generate replicable projects that serve as a vehicle for solving pollution problems and promoting sustainable development.

Carbon nanotubes (CNTs) were synthesized by a low-cost floating catalyst (FC) chemical vapor deposition (CVD) method in a horizontal reactor. It was found that iron (III) chloride (FeCl₃) is a high efficient FC precursor for methane CVD to grow CNTs. In this study, the effects of reaction temperature and flow ratio of methane to nitrogen (CH₄:N₂) on the morphology of the CNTs were investigated. The morphological analysis by scanning electron microscopy (SEM) and transmission electron microscopy (TEM) revealed that increasing the reaction temperature and flow ratio of CH₄:N₂ grew CNTs of larger diameters. Energy dispersive X-ray (EDX) and thermogravimetric analysis (TGA) were employed to study the purity of the produced CNTs. As shown by the TGA, the highest yield of 74.19% was recorded for the CNTs grown at 1000°C and flow ratio CH₄:N₂ of 300:200.

Multi-walled carbon nanotubes (MWCNTs) were prepared by floating catalyst (FC) method, using methane as a carbon source and iron (III) chloride (FeCl₃) as a catalyst precursor, followed by purification with air oxidation and acid treatment. The as-grown and purified MWCNTs were characterized by transmission electron microscopy, scanning electron microscopy, energy dispersive spectroscopy, thermogravimetry analysis and Raman spectroscopy. The average inner and outer diameters of the MWCNTs were 25 and 39 nm, respectively. The purity and yield of the purified MWCNTs were more than 92% and 71% weight fraction, respectively.

Conversion of methane into high value added chemicals and clean fuels such as methanol under mild conditions is of great importance to the chemical industry. However, traditional thermal catalytic of methane always suffer from harsh reaction conditions and poor product selectivity. Here, we reported photoelectrocatalytic oxidation of methane over BiVO₄/Au/FeCo–LDH under simulated sunlight illumination with ambient‘ conditions. The results demonstrate that BiVO₄/Au/FeCo–LDH exhibits excellent photoelectrochemical properties and catalytic activity. The double-layer capacitance ($C_{dl}$) value of BiVO₄/Au/FeCo–LDH is estimated to be 3.00mF$\cdot$cm${}^{-2}$, indicating its considerable electrochemical active areas. The photocurrent density of BiVO₄/Au/FeCo–LDH reaches up to 1.46mA$\cdot$cm${}^{-2}$ in methane atmosphere. The methanol yield for photoelectrocatalytic oxidation of methane is 8.46 times that of pure BiVO₄, and the corresponding Faraday efficiency is 56.09%. Finally, the reaction mechanism of photoelectrocatalytic conversion of methane to methanol based on hydroxyl radical and methyl radical as intermediate products is proposed. Our finding is expected to provide new insight for the design of active and selective catalysts toward photoelectrocatalytic conversion of methane.

Atmospheric methane, emitted from agriculture sector such as production of rice paddies and farming of livestock populations, is one of the important factors responsible for increasing the average atmospheric temperature leading to global warming. It is, therefore, crucial to comprehend the dynamics of methane emission and its effect on global warming. In this paper, a nonlinear mathematical model is proposed and analyzed to study the increase of average atmospheric temperature (or average global warming temperature) caused by emission of methane due to various processes involved in the production of rice paddies and farming of livestock populations simultaneously. In the modeling process, six variables are considered, namely, the cumulative biomass density of rice paddies, the cumulative density of livestock populations, the cumulative density of methane formed by various processes involved in the production of rice paddies, the cumulative density of methane formed by various processes involved in the farming of livestock populations, the atmospheric concentration of methane and the average atmospheric temperature. It is assumed that both the cumulative biomass densities of rice paddies and livestock populations follow logistic models with their respective growth rates and carrying capacities. The growth rate of concentration of methane in the atmosphere is assumed to be directly proportional to the cumulative densities of various processes involved in the production of rice paddies as well as in the farming of livestock populations. This growth rate also increases with a constant rate from various natural sources such as wetlands, etc. The growth rate of average global warming temperature is assumed to be proportional to the increased level of methane concentration in the atmosphere from its equilibrium value. It is also assumed that this temperature decreases with a rate proportional to its enhanced level from its equilibrium level caused by various natural factors such as rain fall, snowfall, etc.

The proposed model is analyzed using the stability theory of differential equations and numerical simulation. The analysis shows that as the emission of methane from various processes involved in the production of rice paddies and farming of livestock populations increase, the average global warming temperature increases considerably from its equilibrium level. The numerical simulation of the model confirms the analytical results.

A significant amount of hydrogen is required for hydroprocessing processes to satisfy the needs of petroleum refinery, natural gas cleaning, and biofuel upgrading. The first section of this chapter introduces the background of hydrogen production technologies. The second section reviews resources that can be used to manufacture hydrogen. The third section provides an overview of the current development of methane reforming, gasification, electrolysis, and other technologies. The last section concludes the chapter and presents the future trends.

Although agricultural production contributed about 10% of all greenhouse gas emissions in the United States in 2019, existing agricultural practices are capable of making the sector carbon neutral. Whether American agriculture will ultimately achieve carbon neutrality is ultimately a question of political will, not a scientific one. Given the right policy environment, farms and ranches will be able to cut their emissions and use their land to sequester carbon, while becoming more climate resilient, productive, and profitable…

The Atlantic County Utilities Authority (ACUA), located in southern New Jersey, is responsible for treating and managing waste in Atlantic County. At both its solid waste facility (Egg Harbor Township) and wastewater treatment facility (Atlantic City), the ACUA has successfully implemented initiatives including renewable energy projects to reduce emissions. These projects have also saved the Authority money. ACUA’s ability to carry out these projects as a government entity demonstrate that opportunities are available for businesses of all types to have an impact.

Some people think that carbon and sustainable development are not compatible. This textbook shows that carbon dioxide (CO₂) from the air and bio-carbon from biomass are our best allies in the energy transition, towards greater sustainability. We pose the problem of the decarbonation (or decarbonization) of our economy by looking at ways to reduce our dependence on fossil carbon (coal, petroleum, natural gas, bitumen, carbonaceous shales, lignite, peat). The urgent goal is to curb the exponential increase in the concentration of carbon dioxide in the atmosphere and hydrosphere (Figures 1.1 and 1.2) that is directly related to our consumption of fossil carbon for our energy and materials The goal of the Paris agreement (United Nations COP 21, Dec. 12, 2015) of limiting the temperature increase to 1.5 degrees (compared to the pre-industrial era, before 1800) is becoming increasingly unattainable (Intergovermental Panel on Climate Change (IPCC), report of Aug. 6, 2021). On Aug. 9, 2021 Boris Johnson, prime minister of the United Kingdom, declared that coal needs to be consigned to history to limit global warming. CO₂ has an important social cost…