01.Dec.2021
The effect of temperature and pressure on the adsorption of CO2 and CH4 gases on calcite (104) has been studied by means of classical molecular dynamics. The results show that carbon dioxide greatly improves methane desorption in the 323–373 K range, even at low CO2 concentrations. However, this effect is less pronounced for very high temperatures (423 K), where most of the methane is desorbed and CO2 tends to desorb in large quantities. Radial distribution function (RDF) analysis reveals two distinct peaks for CO2 (0.36 and 0.47 nm) and two for methane (0.87 and 0.57 nm) and the intensities of these peaks tend to decrease with increasing temperature. Such peaks are always clearly visible for CO2 while methane profile gets very broad already for mild conditions of temperature and CO2 concentration. These results highlight how the CO2 geometry of adsorption is well defined and characterized by strong interaction, while methane adsorption is quite loose and depicts a very dynamic picture. Focusing on the effect of pressure, RDF peaks intensities increase, although this effect is limited to the 1–5 Megapascal (MPa) range. Moreover, the high CO2 presence further decreases the effect of pressure on methane adsorption. In fact, from pure methane to 20/80 CO2/CH4, methane adsorption increases linearly with pressure. For gas mixtures with CO2 concentration higher than 40%, higher pressure has less impact on methane adsorption. Overall, the results obtained yield important details to tune the gas composition and conditions for efficient and enhanced natural gas recovery and sequestration of CO2. This article is protected by copyright. All rights reserved.https://www.researchgate.net/publication/357263203_Molecular_Dynamics_of_CH_4_CO_2_on_calcite_for_Enhancing_Gas_Recovery
The effect of temperature and pressure on the adsorption of CO2 and CH4 gases on calcite (104) has been studied by means of classical molecular dynamics. The results show that carbon dioxide greatly improves methane desorption in the 323–373 K range, even at low CO2 concentrations. However, this effect is less pronounced for very high temperatures (423 K), where most of the methane is desorbed and CO2 tends to desorb in large quantities. Radial distribution function (RDF) analysis reveals two distinct peaks for CO2 (0.36 and 0.47 nm) and two for methane (0.87 and 0.57 nm) and the intensities of these peaks tend to decrease with increasing temperature. Such peaks are always clearly visible for CO2 while methane profile gets very broad already for mild conditions of temperature and CO2 concentration. These results highlight how the CO2 geometry of adsorption is well defined and characterized by strong interaction, while methane adsorption is quite loose and depicts a very dynamic picture. Focusing on the effect of pressure, RDF peaks intensities increase, although this effect is limited to the 1–5 Megapascal (MPa) range. Moreover, the high CO2 presence further decreases the effect of pressure on methane adsorption. In fact, from pure methane to 20/80 CO2/CH4, methane adsorption increases linearly with pressure. For gas mixtures with CO2 concentration higher than 40%, higher pressure has less impact on methane adsorption. Overall, the results obtained yield important details to tune the gas composition and conditions for efficient and enhanced natural gas recovery and sequestration of CO2. This article is protected by copyright. All rights reserved.
https://www.researchgate.net/publication/357263203_Molecular_Dynamics_of_CH_4_CO_2_on_calcite_for_Enhancing_Gas_Recovery
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أنا طالبة في الهندسة الصناعية, اختياري لهذا التخصص كان بناءً على أهميته الكبيرة كمهنة في الحاضر والمستقبل ... رغد بركات
الهندسة الصناعية تساعدك على اتخاذ قرارات أفضل، وتعطي أشكالا أخرى من مبادئ الهندسة بشكل عملي وعلمي في آن. ... محمود صلاح
قسم الهندسة الكيميائية قسم جميل جدا تعلمت فيه الكثير ومما تعلمته فيه جدية العمل وروح الفريق الواحد .. ... رغد الشويكي