4.7 Article

The role of surface chemistry on CO2 adsorption in biomass-derived porous carbons by experimental results and molecular dynamics simulations

Related references

Note: Only part of the references are listed.
Article Environmental Sciences

NiO and MgO/activated carbon as an efficient CO2 adsorbent: characterization, modeling, and optimization

A. Ghaemi et al.

Summary: In this study, AC-based absorbents modified with NiO and MgO were prepared for CO2 adsorption. Response surface methodology and experimental design were used to optimize the operation conditions, and the optimal concentration for both NiO and MgO was found to be 3 wt%. The modified AC showed improved adsorption capacity at higher temperatures, with optimum adsorption capacities of 121.35 mg/g for AC/NiO-3 and 105.17 mg/g for AC/MgO-3.

INTERNATIONAL JOURNAL OF ENVIRONMENTAL SCIENCE AND TECHNOLOGY (2022)

Article Engineering, Environmental

Parallel and series multi-bed pressure swing adsorption processes for H2 recovery from a lean hydrogen mixture

Yongha Park et al.

Summary: This study investigated parallel and series pressure swing adsorption (PSA) processes for H-2 recovery from lean hydrogen mixtures, achieving > 99% H-2 purity. The parallel two-bed PSA process showed H-2 purity of 94.6-98.3% and recovery of 33.5-63.2%, while the series PSA processes achieved over > 99% purity and recovery of 62.478% and 82.643% due to additional pressure equalization steps and blowdown gas utilization. The parallel four-bed PSA process had the highest H-2 productivity, while the series four-bed PSA process achieved > 99% purity with a lower productivity.

CHEMICAL ENGINEERING JOURNAL (2021)

Article Energy & Fuels

Molecular characterization of carbon dioxide, methane, and water adsorption in micropore space of kerogen matrix

Leebyn Chong et al.

Summary: The interaction of carbon dioxide and methane with organic matter represented by kerogen heavily impacts carbon storage and enhanced gas recovery in shales. In this study, molecular dynamics and Monte Carlo simulations were used to investigate the adsorption of carbon dioxide, methane, and water in immature type II-A kerogen. Water shows the highest uptake due to strong energy interaction with kerogen, while methane and carbon dioxide display similar adsorption in micropore space.
Article Thermodynamics

Investigation of adsorption kinetics of CH4 and CO2 on shale exposure to supercritical CO2

Chao Qin et al.

Summary: This study investigates the adsorption kinetics behaviors of CH4 and CO2 on shale affected by exposure to supercritical CO2, finding a decrease in adsorption rates and different rates between the two gases. The study suggests three stages for the CS-ESGR project: Fracturing-Recovery, Replacement-Recovery-Sequestration, and Replacement-Sequestration-Recovery, providing valuable insights for future optimization design.

ENERGY (2021)

Article Engineering, Chemical

Heteroatom-doped porous carbons exhibit superior CO2 capture and CO2/N2 selectivity: Understanding the contribution of functional groups and pore structure

Xiancheng Ma et al.

Summary: The study demonstrates that oxygen and nitrogen-doped porous carbon materials have a significant influence on CO2 adsorption and CO2/N-2 selectivity; the contributions of pore structure and functional groups are roughly 62% and 38% respectively; nitrogen and oxygen-doped porous carbons enhance the electrostatic interactions between the carbon surface and CO2 molecules, affecting CO2/N-2 selectivity.

SEPARATION AND PURIFICATION TECHNOLOGY (2021)

Article Chemistry, Multidisciplinary

Oxygen and nitrogen enriched pectin-derived micro-meso porous carbon for CO2 uptake

Milad Vafaeinia et al.

Summary: Oxygen and nitrogen enriched micro-meso porous carbon powders were synthesized from pectin and melamine, and characterized by various analytical techniques to reveal their high nitrogen and oxygen content, as well as excellent CO2 adsorption performance.

RSC ADVANCES (2021)

Article Engineering, Chemical

Sorption and Diffusion of Methane, Carbon Dioxide, and Their Mixture in Amorphous Polyethylene at High Pressures and Temperatures

Yafan Yang et al.

Summary: Molecular dynamics simulations were used to study the sorption and transport properties of CH4 and CO2 in amorphous polyethylene. The results showed that the uptake and diffusion coefficients of methane and carbon dioxide generally increased with pressure, and the sorption selectivity of CO2/CH4 decreased with increasing pressure and temperature. Additionally, the mobility of methane in the presence of polyethylene was found to be higher than pure methane at high pressures, while the opposite trend was observed for carbon dioxide.

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2021)

Article Engineering, Chemical

Development of Predictive Models for Activated Carbon Synthesis from Different Biomass for CO2 Adsorption Using Artificial Neural Networks

Hossein Mashhadimoslem et al.

Summary: The study focused on modeling the interactions between CO2 uptake and different parameters of activated carbon adsorbent synthesis in biomass types using artificial neural networks. The research developed four ANN structures to predict the specific surface area and CO2 adsorption capacity of the adsorbents, achieving high accuracy with MSE validation results exceeding 0.99. The ANN approach was found to be a promising tool for accurately predicting specific adsorbents of AC biomass types for CO2 capture.

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2021)

Article Chemistry, Multidisciplinary

Biomass derived hierarchical porous carbon for high-performance O2/N2 adsorption; a new green self-activation approach

Hossein Mashhadimoslem et al.

Summary: A new green porous carbon adsorbent was synthesized using a self-activation technique, showing stable O-2/N-2 separation and high reusability. This technology presents a promising strategy for producing eco-friendly porous carbon on an industrial scale.

RSC ADVANCES (2021)

Article Engineering, Environmental

Porous activated carbons derived from waste sugarcane bagasse for CO2 adsorption

Yafei Guo et al.

CHEMICAL ENGINEERING JOURNAL (2020)

Article Engineering, Chemical

A New simplified calculation model of geometric thermal features of a vertical propane jet fire based on experimental and computational studies

Hossein Mashhadimoslem et al.

PROCESS SAFETY AND ENVIRONMENTAL PROTECTION (2020)

Article Chemistry, Multidisciplinary

Hierarchical Porous Carbon from the Synergistic Pore-on-Pore Strategy for Efficient Capacitive Deionization

Haiying Wang et al.

ACS SUSTAINABLE CHEMISTRY & ENGINEERING (2020)

Article Chemistry, Physical

Molecular Simulation Study on Factors Affecting Carbon Dioxide Adsorption on Amorphous Silica Surfaces

Ki Chul Kim et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2020)

Article Chemistry, Physical

Monte Carlo simulations of simple gases adsorbed onto graphite and molecular models of activated carbon

M. E. Farias Hermosilla et al.

ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY (2020)

Article Chemistry, Multidisciplinary

Engineering Porphyrin Metal-Organic Framework Composites as Multifunctional Platforms for CO2 Adsorption and Activation

Jiewei Liu et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)

Article Engineering, Chemical

Nitrogen-Containing Porous Carbon Fibers Prepared from Polyimide Fibers for CO2 Capture

Xue-Fei Wang et al.

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2020)

Review Chemistry, Multidisciplinary

Emerging trends in porous materials for CO2capture and conversion

Gurwinder Singh et al.

CHEMICAL SOCIETY REVIEWS (2020)

Review Chemistry, Physical

Biomass derived porous carbon for CO2 capture

Gurwinder Singh et al.

CARBON (2019)

Article Chemistry, Physical

Sensitivity of the Shock Initiation Threshold of 1,3,5-Triamino-2,4,6-trinitrobenzene (TATB) to Nuclear Quantum Effects

Brenden W. Hamilton et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2019)

Article Thermodynamics

CH4 adsorption and diffusion in shale pores from molecular simulation and a model for CH4 adsorption in shale matrix

Cong Chen et al.

INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER (2019)

Review Chemistry, Physical

Rational design of tailored porous carbon-based materials for CO2 capture

Zhen Zhang et al.

JOURNAL OF MATERIALS CHEMISTRY A (2019)

Article Engineering, Environmental

Ultra-microporous adsorbents prepared from vine shoots-derived biochar with high CO2 uptake and CO2/N-2 selectivity

Joan J. Manya et al.

CHEMICAL ENGINEERING JOURNAL (2018)

Article Chemistry, Multidisciplinary

Highly Nitrogen-Doped Porous Carbon Derived from Zeolitic Imidazolate Framework-8 for CO2 Capture

Xiancheng Ma et al.

CHEMISTRY-AN ASIAN JOURNAL (2018)

Article Materials Science, Multidisciplinary

Predicted structural and mechanical properties of activated carbon by molecular simulation

Po-Yu Yang et al.

COMPUTATIONAL MATERIALS SCIENCE (2018)

Article Thermodynamics

Molecular Dynamics Simulation of First-Adsorbed Water Layer at Titanium Dioxide Surfaces

Guobing Zhou et al.

JOURNAL OF CHEMICAL AND ENGINEERING DATA (2018)

Article Engineering, Chemical

Mixed-cation LiCa-LSX zeolite with minimum lithium for air separation

Franklin E. Epiepang et al.

AICHE JOURNAL (2018)

Article Thermodynamics

Equilibrium and kinetics of CO2 adsorption onto activated carbon

Skander Jribi et al.

INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER (2017)

Article Chemistry, Applied

Carbon Dioxide Adsorption on V2O3(0001)

M. Abu Haija et al.

TOPICS IN CATALYSIS (2017)

Article Chemistry, Multidisciplinary

Computational simulation study of the influence of faujasite Si/Al ratio on CO2 capture by temperature swing adsorption

Hector Prats et al.

JOURNAL OF CO2 UTILIZATION (2017)

Article Engineering, Environmental

CO2 adsorption on a fine activated carbon in a sound assisted fluidized bed: Thermodynamics and kinetics

P. Ammendola et al.

CHEMICAL ENGINEERING JOURNAL (2017)

Article Thermodynamics

Measurement and analysis of adsorption isotherms of CO2 on activated carbon

Vinod Kumar Singh et al.

APPLIED THERMAL ENGINEERING (2016)

Article Chemistry, Physical

Molecular Dynamics Simulations of CO2/N2 Separation through Two Dimensional Graphene Oxide Membranes

Wen Li et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2016)

Article Engineering, Environmental

Novel nitrogen enriched porous carbon adsorbents for CO2 capture: Breakthrough adsorption study

Chitrakshi Goel et al.

JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING (2016)

Article Chemistry, Multidisciplinary

Enhanced CO2 adsorption on Al-MIL-53 by introducing hydroxyl groups into the framework

Jie Yang et al.

RSC ADVANCES (2016)

Proceedings Paper Green & Sustainable Science & Technology

A molecular dynamics simulation study on separation selectivity of CO2/CH4 mixture in mesoporous carbons

Thuat T. Trinh et al.

8TH TRONDHEIM CONFERENCE ON CO2 CAPTURE, TRANSPORT AND STORAGE (2016)

Article Chemistry, Physical

SANS investigations of CO2 adsorption in microporous carbon

J. Bahadur et al.

CARBON (2015)

Article Chemistry, Physical

Nitrogen-doped porous aromatic frameworks for enhanced CO2 adsorption

Jia Fu et al.

JOURNAL OF COLLOID AND INTERFACE SCIENCE (2015)

Article Chemistry, Physical

Effect of Nitrogen Doping on the CO2 Adsorption Behavior in Nanoporous Carbon Structures: A Molecular Simulation Study

K. Vasanth Kumar et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2015)

Article Chemistry, Multidisciplinary

Nitrogen-doped porous carbon spheres derived from D-glucose as highly-efficient CO2 sorbents

Leqiong Xu et al.

RSC ADVANCES (2015)

Article Chemistry, Multidisciplinary

Modelling Gas Adsorption in Porous Solids: Roles of Surface Chemistry and Pore Architecture

Satyanarayana Bonakala et al.

JOURNAL OF CHEMICAL SCIENCES (2015)

Review Materials Science, Multidisciplinary

Designed porous carbon materials for efficient CO2 adsorption and separation

Zhang Xiang-qian et al.

NEW CARBON MATERIALS (2015)

Article Nanoscience & Nanotechnology

Activated Carbon Spheres for CO2 Adsorption

Nilantha P. Wickramaratne et al.

ACS APPLIED MATERIALS & INTERFACES (2013)

Article Chemistry, Multidisciplinary

Insights into CO2/N2 separation through nanoporous graphene from molecular dynamics

Hongjun Liu et al.

NANOSCALE (2013)

Article Chemistry, Physical

Highly porous nitrogen-doped polyimine-based carbons with adjustable microstructures for CO2 capture

Jiacheng Wang et al.

JOURNAL OF MATERIALS CHEMISTRY A (2013)

Article Engineering, Environmental

Thermodynamics for the adsorption of SO2, NO and CO2 from flue gas on activated carbon fiber

Xuan Zhou et al.

CHEMICAL ENGINEERING JOURNAL (2012)

Article Chemistry, Multidisciplinary

Rapid Synthesis of Nitrogen-Doped Porous Carbon Monolith for CO2 Capture

Guang-Ping Hao et al.

ADVANCED MATERIALS (2010)

Article Chemistry, Multidisciplinary

PACKMOL: A Package for Building Initial Configurations for Molecular Dynamics Simulations

L. Martinez et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2009)

Article Engineering, Environmental

Molecular simulation of carbon dioxide adsorption chemically and structurally heterogeneous porous carbons

C. M. Tenney et al.

ENVIRONMENTAL PROGRESS (2006)

Article Energy & Fuels

Adsorption of CO2 on zeolites at moderate temperatures

RV Siriwardane et al.

ENERGY & FUELS (2005)

Article Chemistry, Applied

Carbon molecular sieves from Eucalyptus globulus charcoal

G Bello et al.

MICROPOROUS AND MESOPOROUS MATERIALS (2002)