Adsorbed natural gas (ANG) is a promising solution for improving the safety and storage capacity of low-pressure gas storage systems. The structural–energetic and adsorption properties of active carbon ACPK, synthesized from cheap peat raw materials, are presented. Calculations of the methane–ethane mixture adsorption on ACPK were performed using the experimental adsorption isotherms of pure components. It is shown that the accumulation of ethane can significantly increase the energy capacity of the ANG storage. Numerical molecular modeling of the methane–ethane mixture adsorption in slit-like model micropores has been carried out. The molecular effects associated with the displacement of ethane by methane molecules and the formation of a molecule layered structure are shown. The integral molecular adsorption isotherm of the mixture according to the molecular modeling adequately corresponds to the ideal adsorbed solution theory (IAST). The cyclic processes of gas charging and discharging from the ANG storage based on the ACPK are simulated in three modes: adiabatic, isothermal, and thermocontrolled. The adiabatic mode leads to a loss of 27–33% of energy capacity at 3.5 MPa compared to the isothermal mode, which has a 9.4–19.5% lower energy capacity compared to the thermocontrolled mode, with more efficient desorption of both methane and ethane.

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Nutshells are regarded as cost-effective and abundant raw materials for producing activated carbons (ACs) for CO2 capture, storage, and utilization. The effects of carbonization temperature and thermochemical KOH activation conditions on the porous structure as a BET surface, micropore volume, micropore width, and pore size distribution of ACs prepared from walnut (WNS) and hazelnut (HNS) shells were investigated. As a result, one-step carbonization at 900/800 °C and thermochemical KOH activation with a char/KOH mass ratio of 1:2/1:3 were found to be optimal for preparing ACs from WNS/HNS: WNS-AC-3 and HNS-AC-2, respectively. The textural properties of the WNS/HNS chars and ACs were characterized by low-temperature nitrogen vapor adsorption, XRD, and SEM methods. Dubinin’s theory of volume filling of micropores was used to evaluate the microporosity parameters and to calculate the CO2 adsorption equilibrium over the sub- and supercritical temperatures from 216.4 to 393 K at a pressure up to 10 MPa. The CO2 capture capacities of WNS- and HNS-derived adsorbents reached 5.9/4.1 and 5.4/3.9 mmol/g at 273/293 K under 0.1 MPa pressure, respectively. A discrepancy between the total and delivery volumetric adsorption capacities of the adsorbents was attributed to the strong binding of CO2 molecules with the adsorption sites, which were mainly narrow micropores with a high adsorption potential. The high initial differential heats of CO2 adsorption onto ACs of ~32 kJ/mol confirmed this proposal. The behaviors of thermodynamic functions (enthalpy and entropy) of the adsorption systems were attributed to changes in the state of adsorbed CO2 molecules determined by a balance between attractive and repulsive CO2–CO2 and CO2–AC interactions during the adsorption process. Thus, the chosen route for preparing ACs from the nutshells made it possible to prepare efficient carbon adsorbents with a relatively high CO2 adsorption performance due to a substantial volume of micropores with a size in the range of 0.6–0.7 nm.