Results 81 to 90 of about 5,534 (223)
Does functionalisation enhance CO2 uptake in interpenetrated MOFs? An examination of the IRMOF-9 series [PDF]
, 2014 The effect of pore functionalisation (-I, -OH, -OCH3) on a series of topologically equivalent, interpenetrated metal-organic frameworks (MOFs) was assessed by both simulation and experiment.
Babarao +34 more
core +1 more source
EQUILIBRIUM ADSORPTION OF METHANE ANDCARBON DIOXIDE ON 5A MOLECULAR SIEVE
Journal of Engineering, 2007 Experimental and theoretical studies have been carried out to study the adsorption of methane and carbon dioxide on 5A molecular sieve. Adsorption equilibrium isotherms of methane and carbon dioxide are reported for the temperature range 303– 333 K and ...
Abbas Khalaf Mohammed Shua'ab
doaj +1 more source
Small Structures, Volume 7, Issue 2, February 2026.Ab initio thermodynamics and GCMC simulations reveal a cooperative two‐step CO2 pore filling mechanism in CALF‐20. The study captures adsorption energetics and loading‐dependent structural changes, reproducing experimental isotherms with chemically accurate predictions.
Kaido Sillar +3 more
wiley +1 more source
Design of Covalent Organic Frameworks for Methane Storage [PDF]
, 2011 We designed 14 new covalent organic frameworks (COFs), which are expected to adsorb large amounts of methane (CH_4) at 298 K and up to 300 bar. We have calculated their delivery uptake using grand canonical Monte Carlo (GCMC) simulations.
Goddard, William A., III +2 more
core +1 more source
Small Structures, Volume 7, Issue 2, February 2026.A one‐step modulated hydrothermal method is adopted to synthesize nickel‐ion‐doped HKUST‐1, or Ni@HKUST‐1. The resultant MOF yields a higher surface area and a higher hydrogen uptake capacity than the pristine HKUST‐1. The higher H2 uptake capability is attributed to fine‐tuning of microstructure to increase porosity and stronger H2 adsorption through ...
Chuanzhi Ju +5 more
wiley +1 more source
Temperature influence on water transport in hardened cement pastes [PDF]
, 2015 International audienceDescribing water transport in concrete is an important issue for the durability assessment of radioactive wastemanagement reinforced concrete structures.
Drouet, Emeline +2 more
core +4 more sources
Analyse Thermodynamique des Isothermes de Sorptions des Figues
Revue des Énergies Renouvelables, 2021 In this study, the hygroscopicity and thermodynamic properties of figs were studied to simulate their hygroscopic behavior during storage and drying. The experimental results were analyzed by the nine models of sorption isotherms.
Abdelouahab Benseddik +4 more
doaj
Isosteric Heats of Adsorption of N2O and NO on Natural Zeolites
Journal of the Mexican Chemical Society, 2019 We studied the capacities of three natural zeolites to adsorb N2O or NO using a glass high-vacuum volumetric system that permitted characterization of the energetics of the adsorption process. Adsorption equilibrium data were analyzed using the classical Freundlich equation and the Dual–Langmuir model. We employed the Clausius–Clapeyron relationship to
Gerardo Domínguez +2 more
openaire +3 more sources
High-Throughput Screening of Porous Crystalline Materials for Hydrogen Storage Capacity near Room Temperature [PDF]
, 2014 The hydrogen storage capabilities of 18,383 porous crystalline structures possessing various degrees of Mg functionalization and diverse physical properties were assessed through combined grand canonical Monte Carlo (GCMC) and quantum mechanical ...
Colon, Yamil J +3 more
core +1 more source
Pure and binary adsorption of CO2, H2, and N2 on activated carbon [PDF]
, 2018 A new developing field of application for pressure swing adsorption (PSA) processes is the capture of CO2 to mitigate climate change, especially the separation of CO2 and H2 in a pre-combustion context.
Casas, Nathalie +3 more
core