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NITHIN B KUMMAMURU
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Volume 43 All articles Published: 12 November 2020 Article ID 0296
NITHIN B KUMMAMURU ANGAN SENGUPTA SRIKANTA DINDA
This work contributes to the estimation of new and complementary density data for carbon dioxide (CO$_2$) confined in carbon slit pores at different conditions. Grand canonical Monte Carlo (GCMC) simulations were employed topredict the CO$_2$ adsorption capacities in carbon slit pores of height 20, 31.6, 63.2, 94.85 and 126.5 Å at 673.15 and 873.15 K over a pressure range of 500–4000 kPa, which corresponds to steam reforming of methane process. The bulk densities of CO$_2$ at these temperature and pressure conditions have been estimated via isothermal–isobaric ensemble MC simulations using the Elementary Physical Model. The predicted density shows an excellent agreement with the experimental data. The adsorption capacities of CO$_2$ in all the aforementioned pores at 673.15 and 873.15 K over the pressure range of500–4000 kPa have also been estimated in the presence of wall–fluid interactions, in addition to the fluid–fluid interactions. The study on the thermodynamic phase behaviour of confined CO$_2$ in the presence of wall–fluid interactions showed the existence of vapour–liquid equilibria at high temperature and pressure conditions.
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Bulletin of Materials Science
Volume 44, 2021
All articles
Continuous Article Publishing mode
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Bulletin of Materials Science | News
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Dr Shanti Swarup Bhatnagar for Science and Technology
Posted on October 12, 2020Prof. Subi Jacob George — Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bengaluru
Chemical Sciences 2020Prof. Surajit Dhara — School of Physics, University of Hyderabad, Hyderabad
Physical Sciences 2020 -
Editorial Note on Continuous Article Publication
Posted on July 25, 2019Click here for Editorial Note on CAP Mode
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