Adsorption and diffusion behavior of CO2/H2 mixture in calcite slit pores: A molecular simulation study

Monte Carlo Molecular Simulation Study of Carbon Dioxide Sequestration into Dry and Wet Calcite Pores Containing Methane

(2021) Srikanth Ravipati et al.   ENERGY & FUELS

Cohesive strategy and energy conversion efficiency analysis of bio-hythane production from corncob powder by two-stage anaerobic digestion process

(2020) Zhiping Zhang et al.   BIORESOURCE TECHNOLOGY

Transport Property of Methane and Ethane in K-Illite Nanopores of Shale: Insights from Molecular Dynamic Simulations

(2020) Lu Zhang et al.   ENERGY & FUELS

Porous carbons derived from sustainable biomass via a facile one-step synthesis strategy as efficient CO2 adsorbents

(2020) Pupu Yang et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Investigation of the interaction between lighting and mixing applied during the photo-fermentation biohydrogen production process from agricultural waste

(2020) Zhiping Zhang et al.   BIORESOURCE TECHNOLOGY

Computational Selection of High-Performing Covalent Organic Frameworks for Adsorption and Membrane-Based CO2/H2 Separation

(2020) Gokhan Onder Aksu et al.   Journal of Physical Chemistry C

Fabrication and characterization of highly active fibrous silica-mordenite (FS@SiO2-MOR) cockscomb shaped catalyst for enhanced CO2 methanation

(2020) I. Hussain et al.   CHEMICAL ENGINEERING SCIENCE

Molecular simulation of CH 4 adsorption behavior in slit nanopores: Verification of simulation methods and models

(2019) Jinrong Cao et al.   AICHE JOURNAL

CO2 Adsorption on Hazelnut-Shell-Derived Nitrogen-Doped Porous Carbons Synthesized by Single-Step Sodium Amide Activation

(2019) Shenfang Liu et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Multicomponent adsorptive separation of CO2, CO, CH4, N2, and H2 over core-shell zeolite-5A@MOF-74 composite adsorbents

(2019) Qasim Al-Naddaf et al.   CHEMICAL ENGINEERING JOURNAL

Molecular simulations on CO2 adsorption and adsorptive separation in fullerene impregnated MOF-177, MOF-180 and MOF-200

(2019) Genjian Xu et al.   COMPUTATIONAL MATERIALS SCIENCE

A review on production of metal organic frameworks (MOF) for CO2 adsorption

(2019) Taravat Ghanbari et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Molecular Dynamics Simulation of n-Alkanes and CO2 Confined by Calcite Nanopores

(2018) Mirella S. Santos et al.   ENERGY & FUELS

Finite-Size Effects of Binary Mutual Diffusion Coefficients from Molecular Dynamics

(2018) Seyed Hossein Jamali et al.   Journal of Chemical Theory and Computation

Using the Maxwell-Stefan formulation for highlighting the influence of interspecies (1−2) friction on binary mixture permeation across microporous and polymeric membranes

(2017) Rajamani Krishna   JOURNAL OF MEMBRANE SCIENCE

Kinetic adsorption modeling of ethanol molecules onto three types of activated carbons: Microscopic interpretation of adsorption and diffusion parameters

(2017) Mohamed Bouzid et al.   JOURNAL OF MOLECULAR LIQUIDS

A Quantum Mechanically Derived Force Field To Predict CO2 Adsorption on Calcite {10.4} in an Aqueous Environment

(2017) A. Silvestri et al.   Journal of Physical Chemistry C

A Review on the Production and Purification of Biomass-Derived Hydrogen Using Emerging Membrane Technologies

(2017) Hang Yin et al.   Catalysts

Characterization of Methane Excess and Absolute Adsorption in Various Clay Nanopores from Molecular Simulation

(2017) Yuanyuan Tian et al.   Scientific Reports

Adsorption Behavior of Hydrocarbon on Illite

(2016) G. Chen et al.   ENERGY & FUELS

Selective Adsorption and Selective Transport Diffusion of CO2–CH4 Binary Mixture in Coal Ultramicropores

(2016) Yongliang Zhao et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Amine-modified Mg-MOF-74/CPO-27-Mg membrane with enhanced H 2 /CO 2 separation

(2015) Nanyi Wang et al.   CHEMICAL ENGINEERING SCIENCE

Effect of headspace carbon dioxide sequestration on microbial biohydrogen communities

(2015) Noha Nasr et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Competitive adsorption of a binary CO2–CH4 mixture in nanoporous carbons: effects of edge-functionalization

(2015) Xiaoqing Lu et al.   Nanoscale

Sorption of CH4 and CO2 on a carboniferous shale from Belgium using a manometric setup

(2014) Roozbeh Khosrokhavar et al.   INTERNATIONAL JOURNAL OF COAL GEOLOGY

Metal–organic framework nanosheets in polymer composite materials for gas separation

(2014) Tania Rodenas et al.   NATURE MATERIALS

Diffusion Coefficients from Molecular Dynamics Simulations in Binary and Ternary Mixtures

(2013) Xin Liu et al.   INTERNATIONAL JOURNAL OF THERMOPHYSICS

The Maxwell–Stefan description of mixture diffusion in nanoporous crystalline materials

(2013) Rajamani Krishna   MICROPOROUS AND MESOPOROUS MATERIALS

DL_MONTE: a general purpose program for parallel Monte Carlo simulation

(2013) J.A. Purton et al.   MOLECULAR SIMULATION

Porous materials with optimal adsorption thermodynamics and kinetics for CO2 separation

(2013) Patrick Nugent et al.   NATURE

CO2Adsorption Isotherm on Modified Calcite, Quartz, and Kaolinite Surfaces: Surface Energy Analysis

(2013) V. Alipour Tabrizy et al.   PETROLEUM SCIENCE AND TECHNOLOGY

Molecular dynamics study of calcite, hydrate and the temperature effect on CO2transport and adsorption stability in geological formations

(2012) Phan Van Cuong et al.   MOLECULAR PHYSICS

Development and Evaluation of Porous Materials for Carbon Dioxide Separation and Capture

(2011) Youn-Sang Bae et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Adsorption and Transport of CH4, CO2, H2 Mixtures in a Bio-MOF Material from Molecular Simulations

(2011) Erhan Atci et al.   Journal of Physical Chemistry C

Molecular Simulations of Zeolites: Adsorption, Diffusion, and Shape Selectivity

(2008) Berend Smit et al.   CHEMICAL REVIEWS

Hydrogen-rich gas production from biomass steam gasification in an updraft fixed-bed gasifier combined with a porous ceramic reformer

(2008) N GAO et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Kinetics of two-stage fermentation process for the production of hydrogen

(2008) Kaushik Nath et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Diffusion and Separation of CO2and CH4in Silicalite, C168Schwarzite, and IRMOF-1: A Comparative Study from Molecular Dynamics Simulation

(2008) Ravichandar Babarao et al.   LANGMUIR

Separation of CO2from CH4Using Mixed-Ligand Metal−Organic Frameworks

(2008) Youn-Sang Bae et al.   LANGMUIR

High-Throughput Synthesis of Zeolitic Imidazolate Frameworks and Application to CO2Capture

(2008) Rahul Banerjee et al.   SCIENCE