Ab-Initio Molecular Dynamics investigation of gas adsorption on α-quartz (001) for CO2 enhanced natural gas recovery
المؤلف | Carchini G. |
المؤلف | Hussein I.A. |
المؤلف | Al-Marri M.J. |
المؤلف | Mahmoud M. |
المؤلف | Shawabkeh R. |
المؤلف | Aparicio S. |
تاريخ الإتاحة | 2022-04-25T10:59:41Z |
تاريخ النشر | 2021 |
اسم المنشور | Journal of Petroleum Science and Engineering |
المصدر | Scopus |
المعرّف | http://dx.doi.org/10.1016/j.petrol.2021.108963 |
الملخص | In this work, the interaction of methane and carbon dioxide on α-quartz with surface 001, with a siloxane termination (dense) surface was investigated by means of Ab-Initio Molecular Dynamics. Different temperatures were addressed, ranging from 298 to 423 K. For completeness, pure and mixed compositions were considered, to replicate the conditions present during Enhanced Gas Recovery processes by CO2 injection. When considering pure compositions, both gases stick to the surface, except for the highest temperature (423 K), where most of CH4 tend to desorb. When mixed compositions are addressed, carbon dioxide generally hinders the interaction of methane, except for high temperature, where both gases are equally distributed both close and far from the surface. To the goal of improving EGR processes on sandstone reservoirs, this work shows that a temperature of 323 K offers the best efficiency by increasing the interaction of carbon dioxide and pushing methane out of the surface. At the same time, this study would not recommend the use of very high temperatures (T > 373 K) and excessive concentration of CO2, as the majority of this gas would desorb, without improving methane extraction in a meaningful way. |
راعي المشروع | The authors would like to acknowledge the support of Qatar National Research Fund (a member of Qatar Foundation) through Grant # NPRP10-0125-170235 . The findings achieved herein are solely the responsibility of the authors. The authors would like to thank Texas A&M University in Qatar for the use of their computational resources. |
اللغة | en |
الناشر | Elsevier B.V. |
الموضوع | Gas adsorption Gases Methane Molecular dynamics Quartz Recovery Ab initio molecular dynamics CH$-4$ CO$-2$/ injection Condition Dense surface DFT Enhanced gas recoveries Highest temperature Natural gas recoveries Recovery process Carbon dioxide adsorption carbon dioxide enhanced oil recovery extraction method methane molecular analysis natural gas quartz |
النوع | Article |
رقم المجلد | 205 |
تحقق من خيارات الوصول
الملفات في هذه التسجيلة
الملفات | الحجم | الصيغة | العرض |
---|---|---|---|
لا توجد ملفات لها صلة بهذه التسجيلة. |
هذه التسجيلة تظهر في المجموعات التالية
-
الهندسة الكيميائية [1155 items ]
-
الأبحاث [494 items ]