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List of works by Rajamani Krishna

1H NMR signal broadening in spectra of alkane molecules adsorbed on MFI-type zeolites

A Maxwell-Stefan-Glueckauf description of transient mixture uptake in microporous adsorbents

A Metal-Organic Framework with Suitable Pore Size and Specific Functional Sites for the Removal of Trace Propyne from Propylene

scientific article published on 15 October 2018

A Microporous Metal-Organic Framework for Highly Selective Separation of Acetylene, Ethylene, and Ethane from Methane at Room Temperature

article

A Molecular Dynamic Investigation of the Diffusion of Methane-Ethane and Methane-Propane Mixtures in Zeolites

A Molecular Dynamics investigation of the influence of framework flexibility on self-diffusivity of ethane in Zn(tbip) frameworks

article

A New Isomeric Porous Coordination Framework Showing Single-Crystal to Single-Crystal Structural Transformation and Preferential Adsorption of 1,3-Butadiene from C4 Hydrocarbons

A Porous Zirconium-Based Metal-Organic Framework with the Potential for the Separation of Butene Isomers

scientific article published on 6 September 2016

A Robust Cage-Based Metal–Organic Framework Showing Ultrahigh SO2 Uptake for Efficient Removal of Trace SO2 from SO2/CO2 and SO2/CO2/N2 Mixtures

scientific article published on 17 February 2021

A Rod-Packing Microporous Hydrogen-Bonded Organic Framework for Highly Selective Separation of C2H2/CO2at Room Temperature

scientific article published on 13 November 2014

A Scale-Up Strategy for a Commercial Scale Bubble Column Slurry Reactor for Fischer-Tropsch Synthesis

A Simulation Study of Alkanes in Linde Type A Zeolites

A Strategy for Scaling Up the Fischer–Tropsch Bubble Column Slurry Reactor

A cationic microporous metal–organic framework for highly selective separation of small hydrocarbons at room temperature

article

A combined theoretical and experimental analysis on transient breakthroughs of C2H6/C2H4 in fixed beds packed with ZIF-7

A comparison of the CO2 capture characteristics of zeolites and metal–organic frameworks

article

A computational study of CO2, N2, and CH4 adsorption in zeolites

A film model analysis of non-equimolar distillation of multicomponent mixtures

article published in 1977

A generalized film model for mass transfer in non-ideal fluid mixtures

article

A metal–organic framework with suitable pore size and dual functionalities for highly efficient post-combustion CO2 capture

A microporous lanthanide-tricarboxylate framework with the potential for purification of natural gas

scientific article published on 01 October 2012

A microporous metal–organic framework assembled from an aromatic tetracarboxylate for H2 purification

article

A microporous metal–organic framework with rare lvt topology for highly selective C2H2/C2H4 separation at room temperature

article

A model for gas holdup in bubble columns incorporating the influence of gas density on flow regime transitions

A molecular dynamics investigation of a variety of influences of temperature on diffusion in zeolites

article

A molecular dynamics investigation of the diffusion characteristics of cavity-type zeolites with 8-ring windows

article

A molecular dynamics investigation of the unusual concentration dependencies of Fick diffusivities in silica mesopores

article

A molecular simulation study of commensurate–incommensurate adsorption of n -alkanes in cobalt formate frameworks

scientific article published in October 2009

A moving bed reactor concept for alkane isomerization

A multicomponent film model incorporating a general matrix method of solution to the Maxwell-Stefan equations

article

A multifunctional double walled zirconium metal–organic framework: high performance for CO2 adsorption and separation and detecting explosives in the aqueous phase

scientific article published in 2020

A new MOF-5 homologue for selective separation of methane from C2 hydrocarbons at room temperature

A new metal–organic framework with potential for adsorptive separation of methane from carbon dioxide, acetylene, ethylene, and ethane established by simulated breakthrough experiments

article

A note on multicomponent mass transfer in turbulent flow

A note on the film and penetration models for multicomponent mass transfer

A rationalization of the Type IV loading dependence in the Kärger–Pfeifer classification of self-diffusivities

A robust doubly interpenetrated metal–organic framework constructed from a novel aromatic tricarboxylate for highly selective separation of small hydrocarbons

article

A robust heterometallic ultramicroporous MOF with ultrahigh selectivity for propyne/propylene separation

scientific article published in 2021

A robust metal-organic framework showing two distinct pores for effective separation of xenon and krypton

scientific article published in October 2021

A scale up strategy for bubble column slurry reactors

A separation MOF with O/N active sites in nonpolar pore for One-step C2H4 purification from C2H6 or C3H6 mixtures

A simplified mass transfer analysis for multicomponent condensation

A simplified procedure for estimation of mixture permeances from unary permeation data

article published in 2011

A simplified procedure for the solution of the dusty gas model equations for steady-state transport in non-reacting systems

A stable metal–organic framework with suitable pore sizes and rich uncoordinated nitrogen atoms on the internal surface of micropores for highly efficient CO2 capture

article

A stable metal–organic framework with well‐matched pore cavity for efficient acetylene separation

scientific article published on 5 January 2021

A structured catalytic bubble column reactor: hydrodynamics and mixing studies

A turbulent film model for multicomponent mass transfer

A unified approach to the scale-up of gas—solid fluidized bed and gas—liquid bubble column reactors

article published in 1994

A versatile synthesis of metal–organic framework-derived porous carbons for CO2 capture and gas separation

article

Absorption of hydrogen sulfide in aqueous solutions of iodine—a critical review

article

Adjusting the proportions of extra-framework K + and Cs + cations to construct a “molecular gate” on ZK-5 for CO 2 removal

article published in 2018

Adsorption and diffusion of alkanes in CuBTC crystals investigated using infra-red microscopy and molecular simulations

Adsorption of Linear and Branched Alkanes in the Zeolite Silicalite-1

scientific article published in 1998

Adsorption of fluorescein by protein crystals

scientific article published in September 2004

Adsorption of xanthene dyes by lysozyme crystals

scientific article published in February 2005

Adsorptive separation of C2/C3/C4-hydrocarbons on a flexible Cu-MOF: The influence of temperature, chain length and bonding character

article published in 2016

Adsorptive separation of CO2/CH4/CO gas mixtures at high pressures

Alkane/alkene mixture diffusion in silicalite-1 studied by MAS PFG NMR

An Adsorbate Discriminatory Gate Effect in a Flexible Porous Coordination Polymer for Selective Adsorption of CO2 over C2H2.

scientific article published on 15 February 2016

An Ideal Molecular Sieve for Acetylene Removal from Ethylene with Record Selectivity and Productivity

scientific article published on 10 November 2017

An Ultramicroporous Metal-Organic Framework for High Sieving Separation of Propylene from Propane

scientific article published on 29 September 2020

An alternative linearized theory of midticomponent mass transfer

An investigation of the characteristics of Maxwell–Stefan diffusivities of binary mixtures in silica nanopores

Analogous description of the hydrodynamics of gas-solid fluidized beds and bubble columns

Analysis of Diffusion Limitation in the Alkylation of Benzene over H-ZSM-5 by Combining Quantum Chemical Calculations, Molecular Simulations, and a Continuum Approach

article

Analytic solution of the Maxwell–Stefan equations for multicomponent permeation across a zeolite membrane

article published in 2004

Assessing guest diffusivities in porous hosts from transient concentration profiles

scientific article published on 11 February 2009

Assessing surface permeabilities from transient guest profiles in nanoporous host materials

scientific article published in January 2009

Beyond Crystal Engineering: Significant Enhancement of C2H2/CO2 Separation by Constructing Composite Material

scientific article published on 21 March 2018

Bifurcation analysis for TAME synthesis in a reactive distillation column: comparison of pseudo-homogeneous and heterogeneous reaction kinetics models

Bimodal Functionality in a Porous Covalent Triazine Framework by Rational Integration of an Electron-Rich and -Deficient Pore Surface.

scientific article published on 18 February 2016

Binary and multicomponent mass transfer at high transfer rates

Boosting Selective Adsorption of Xe over Kr by Double-Accessible Open-Metal Site in Metal-Organic Framework: Experimental and Theoretical Research

scientific article published on 31 July 2020

CFD Modeling of Bubble Column Reactor Including the Influence of Gas Contraction

CFD Modeling of a Bubble Column Reactor Carrying out a Consecutive A→ B→ C Reaction

CFD Simulations of Sieve Tray Hydrodynamics

CFD Simulations of a Bubble Column Operating in the Homogeneous and Heterogeneous Flow Regimes

CFD modeling of gas-fluidized beds with a bimodal particle mixture

CFD simulations of mass transfer from Taylor bubbles rising in circular capillaries

CFD simulations of wall mass transfer for Taylor flow in circular capillaries

CO2/CH4, CH4/H2 and CO2/CH4/H2 separations at high pressures using Mg2(dobdc)

Carbon Dioxide Capture from Air Using Amine-Grafted Porous Polymer Networks

scholarly article by Weigang Lu et al published 15 February 2013 in Journal of Physical Chemistry C

Characteristic changes of asphaltenes during visbreaking of North Gujarat short residue

scholarly article by I.D. Singh et al published March 1990 in Fuel

Characterization of regimes and regime transitions in bubble columns by chaos analysis of pressure signals

article

Commensurate-incommensurate adsorption and diffusion in ordered crystalline microporous materials

scientific article

Comment on Comparative Molecular Simulation Study of CO2/N2and CH4/N2Separation in Zeolites and Metal−Organic Frameworks

article

Comment on “Modeling Adsorption and Self-Diffusion of Methane in LTA Zeolites: The Influence of Framework Flexibility”

article published in 2010

Comments on "Simulation and optimization of an industrial ammonia reactor"

Comparative analysis of CFD models of dense gas–solid systems

Comparison of Hydrodynamics and Mass Transfer in Airlift and Bubble Column Reactors Using CFD

Comparison of equilibrium stage and nonequilibrium stage models for reactive distillation

article published in 2000

Comparison of models for ternary mass transfer

Composition Trajectories for Heterogeneous Azeotropic Distillation in a Bubble-Cap Tray Column

article

Computer-Assisted Screening of Ordered Crystalline Nanoporous Adsorbents for Separation of Alkane Isomers

scientific article published on 19 October 2012

Condensation of vapor mixtures. 1. Nonequilibrium models and design procedures

article published in 1986

Condensation of vapor mixtures. 2. Comparison with experiment

Configurational Entropy Effects during Sorption of Hexane Isomers in Silicalite

article published in 2001

Constructing a robust gigantic drum-like hydrophobic [Co24U6] nanocage in a metal–organic framework for high-performance SO2 removal in humid conditions

scientific article published in 2021

Constructing redox-active microporous hydrogen-bonded organic framework by imide-functionalization: Photochromism, electrochromism, and selective adsorption of C2H2 over CO2

scientific article published in March 2020

Correlation Effects in Diffusion of CH4/CF4Mixtures in MFI Zeolite. A Study Linking MD Simulations with the Maxwell−Stefan Formulation

Correlation of pour point of gas oil and vacuum gas oil fractions with compositional parameters

article

Corrigendum to “CFD simulations of mass transfer from Taylor bubbles rising in circular capillaries” [Chem. Eng. Sci. 59 (2004) 2535–2545]

scholarly article published in Chemical Engineering Science

Counter-current operation of a structured catalytically packed-bed reactor:

Counter-current operation of structured catalytically packed distillation columns: pressure drop, holdup and mixing

Creating High-Number Defect Sites through a Bimetal Approach in Metal–Organic Frameworks for Boosting Trace SO 2 Removal

scientific article published on 20 October 2022

Crossing of boundaries in ternary azeotropic distillation: influence of interphase mass transfer

article

Crossing of the Distillation Boundary in Homogeneous Azeotropic Distillation: Influence of Interphase Mass Transfer

article

Cu-TDPAT, an rht-Type Dual-Functional Metal–Organic Framework Offering Significant Potential for Use in H2 and Natural Gas Purification Processes Operating at High Pressures

article

Dependence of zeolite topology on alkane diffusion inside diverse channels

scientific article published on 21 May 2020

Describing Binary Mixture Diffusion in Carbon Nanotubes with the Maxwell−Stefan Equations. An Investigation Using Molecular Dynamics Simulations

article by Rajamani Krishna & J. M. van Baten published March 2006 in Industrial & Engineering Chemistry Research

Describing Mixture Diffusion in Microporous Materials under Conditions of Pore Saturation

article by Rajamani Krishna & Jasper M. van Baten published 17 June 2010 in Journal of Physical Chemistry C

Describing diffusion in fluid mixtures at elevated pressures by combining the Maxwell–Stefan formulation with an equation of state

article by Rajamani Krishna & Jasper M. van Baten published October 2016 in Chemical Engineering Science

Describing mixture permeation across polymeric membranes by a combination of Maxwell-Stefan and Flory-Huggins models

article by Rajamani Krishna published October 2016 in Polymer

Describing the Diffusion of Guest Molecules Inside Porous Structures

article by Rajamani Krishna published 18 September 2009 in Journal of Physical Chemistry C

Design and optimisation of a multi-stage bubble column slurry reactor for Fischer–Tropsch synthesis

Design and scale up of a bubble column slurry reactor for Fischer–Tropsch synthesis

Design and scale-up of the Fischer–Tropsch bubble column slurry reactor

article by Rajamani Krishna & S.T. Sie published May 2000 in Fuel Processing Technology

Development of a dynamic nonequilibrium cell model for reactive distillation tray columns

article published in 2000

Diffusing uphill with James Clerk Maxwell and Josef Stefan

Diffusing uphill with James Clerk Maxwell and Josef Stefan

Diffusion in multicomponent electrolyte systems

Diffusion in porous crystalline materials ⬇️

scientific article published on January 19, 2012

Diffusion of Binary Mixtures in Zeolites: Kinetic Monte Carlo versus Molecular Dynamics Simulations

article

Diffusion of CH4 and CO2 in MFI, CHA and DDR zeolites

Diffusion of alkane mixtures in MFI zeolite

Diffusion of binary mixtures across zeolite membranes: entropy effects on permeation selectivity

Diffusion of binary mixtures in microporous materials: Overshoot and roll-up phenomena

Diffusion of binary mixtures in zeolites: molecular dynamics simulations versus Maxwell–Stefan theory

article

Diffusion of hydrocarbon mixtures in MFI zeolite: Influence of intersection blocking

Diffusion of n-butane/iso-butane mixtures in silicalite-1 investigated using infrared (IR) microscopy

article published in 2009

Direct Observation of Xe and Kr Adsorption in a Xe-Selective Microporous Metal-Organic Framework

scientific article published on 29 May 2015

Distance and angular holonomic constraints in molecular simulations

scientific article published on July 2010

Distillation column with reactive pump arounds: an alternative to reactive distillation

Distillation column with reactive pump arounds: an alternative to reactive distillation

Dual Strategic Approach to Prepare Defluorinated Triazole-Embedded Covalent Triazine Frameworks with High Gas Uptake Performance

Dynamic Adsorption of CO2/N2 on Cation-Exchanged Chabazite SSZ-13: A Breakthrough Analysis.

scientific article published on 17 April 2018

Dynamic behaviour of reactive distillation columns described by a nonequilibrium stage model

article by R. Baur et al published March 2001 in Chemical Engineering Science

Dynamic behaviour of reactive distillation tray columns described with a nonequilibrium cell model

article by R. Baur et al published February 2001 in Chemical Engineering Science

Effect of emulsion breakage on selectivity in the separation of hydrocarbon mixtures using aqueous surfactant membranes

Effect of nature and composition of inert gas on binary vapour condensation

article

Effect of surfactant type on selectivity for the separation of 1-methylnaphthalene from dodecane using liquid membranes

article published in 1987

Effect of thermodynamic non-idealities on fluid-fluid interphase mass transfer

Efficient Purification of Ethylene from C<sub>2</sub> Hydrocarbons with an C<sub>2</sub>H<sub>6</sub>/C<sub>2</sub>H<sub>2</sub>-Selective Metal-Organic Framework

scientific article published on 28 December 2020

Efficient Separation of Trace SO 2 from SO 2 /CO 2 /N 2 Mixtures in a Th-Based MOF

scientific article published on 20 July 2022

Efficient Xe/Kr separation in fluorinated pillar-caged metal-organic frameworks

Efficient propyne/propadiene separation by microporous crystalline physiadsorbents

scientific article published in October 2021

Efficient separation of ethylene from acetylene/ethylene mixtures by a flexible-robust metal–organic framework

article

Elucidating Traffic Junction Effects in MFI Zeolite Using Kinetic Monte Carlo Simulations

Elucidating alkane adsorption in sodium-exchanged zeolites from molecular simulations to empirical equations

Elucidation and characterization of entropy effects in mixture separations with micro-porous crystalline adsorbents

Elucidation of Selectivity Reversals for Binary Mixture Adsorption in Microporous Adsorbents

scientific article published on 07 April 2020

Enhanced CO2sorption and selectivity by functionalization of a NbO-type metal–organic framework with polarized benzothiadiazole moieties

article

Enhanced Gas Uptake in a Microporous Metal-Organic Framework via a Sorbate Induced-Fit Mechanism

scientific article published on 22 October 2019

Enhanced carbon dioxide capture upon incorporation of N,N′-dimethylethylenediamine in the metal–organic framework CuBTTri

article

Enhancing C2H2/C2H4 separation by incorporating low-content sodium in covalent organic frameworks

scientific article published in 2019

Enhancing CO2 Adsorption and Separation Properties of Aluminophosphate Zeolites by Isomorphous Heteroatom Substitutions

scientific article published on 04 December 2018

Enhancing Gas Sorption and Separation Performance via Bisbenzimidazole Functionalization of Highly Porous Covalent Triazine Frameworks

scientific article published on 30 July 2018

Entropic Separation of Styrene/Ethylbenzene Mixtures by Exploitation of Subtle Differences in Molecular Configurations in Ordered Crystalline Nanoporous Adsorbents

scientific article published on 20 March 2015

Entropic separations of mixtures of aromatics by selective face-to-face molecular stacking in one-dimensional channels of metal-organic frameworks and zeolites

scientific article

Entropy effects during sorption of alkanes in zeolites

scientific article published in May 2002

Entropy effects in adsorption and diffusion of alkane isomers in mordenite: An investigation using CBMC and MD simulations

Entropy-based separation of linear chain molecules by exploiting differences in the saturation capacities in cage-type zeolites

article published in 2011

Ethane/ethylene separation in a metal-organic framework with iron-peroxo sites

scientific article published in Science

Ethane/ethylene separation in a metal-organic framework with iron-peroxo sites

scientific article

Ethene/ethane separation by the MOF membrane ZIF-8: Molecular correlation of permeation, adsorption, diffusion

Eulerian Simulation Strategy for Scaling up a Bubble Column Slurry Reactor for Fischer−Tropsch Synthesis

Eulerian simulations for determination of the axial dispersion of liquid and gas phases in bubble columns operating in the churn-turbulent regime

article published in 2001

Eulerian simulations of bubble columns operating at elevated pressures in the churn turbulent flow regime

Eulerian simulations of bubbling behaviour in gas-solid fluidised beds

Evaluating metal–organic frameworks for post-combustion carbon dioxide capture via temperature swing adsorption

article

Evaluation of procedures for estimation of the isosteric heat of adsorption in microporous materials

Exceptional Hydrophobicity of a Large-Pore Metal–Organic Zeolite

article

Expanded organic building units for the construction of highly porous metal-organic frameworks

scientific article

Experimental Verification of the Maxwell-Stefan Formulation in Describing Composition Trajectories During Azeotropic Distillation

article

Experimental validation of Lagrangian–Eulerian simulations of fluidized beds

Experimental verification of the Maxwell-Stefan theory for micropore diffusion

article published in 1995

Experiments and simulations on separating a CO2/CH4 mixture using K-KFI at low and high pressures

Exploiting Configurational Entropy Effects for Separation of Hexane Isomers Using Silicalite-1

Exploiting Framework Flexibility of a Metal-Organic Framework for Selective Adsorption of Styrene over Ethylbenzene

scientific article published on 15 April 2015

Exploiting the Bjerknes force in bubble column reactors

Exploiting the gate opening effect in a flexible MOF for selective adsorption of propyne from C1/C2/C3 hydrocarbons

article published in 2016

Exploring the Effect of Ligand-Originated MOF Isomerism and Methoxy Group Functionalization on Selective Acetylene/Methane and Carbon Dioxide/Methane Adsorption Properties in Two NbO-Type MOFs

scientific article published on 11 June 2018

Extraordinary Separation of Acetylene-Containing Mixtures with Microporous Metal-Organic Frameworks with Open O Donor Sites and Tunable Robustness through Control of the Helical Chain Secondary Building Units.

scientific article published on 2 March 2016

Fine-tuning optimal porous coordination polymers using functional alkyl groups for CH4 purification

Flexible Metal-Organic Frameworks with Discriminatory Gate-Opening Effect for the Separation of Acetylene from Ethylene/Acetylene Mixtures

article

Flexible-Robust Metal-Organic Framework for Efficient Removal of Propyne from Propylene

scientific article published on 5 June 2017

Flow Enhancement of Shear-Thinning Liquids in Capillaries Subjected to Longitudinal Vibrations

article

Flow regime transition in bubble columns

Fluorocarbon adsorption in hierarchical porous frameworks

scientific article published on 9 July 2014

Fundamentals and selection of advanced Fischer–Tropsch reactors

Gas Holdup and Volumetric Mass Transfer Coefficient in a Slurry Bubble Column

Gas and liquid phase mass transfer within KATAPAK-S ® structures studied using CFD simulations

article published in 2002

Gas hold-up in bubble columns: influence of alcohol addition versus operation at elevated pressures

article

Gas holdup and mass transfer in bubble column reactors operated at elevated pressure

Gas holdup in bubble column reactors operating in the churn-turbulent flow regime

Gas holdup in slurry bubble columns: Effect of column diameter and slurry concentrations

Gas-Liquid Mass Transfer in a Slurry Bubble Column at High Slurry Concentrations and High Gas Velocities

Guest-dependent pressure induced gate-opening effect enables effective separation of propene and propane in a flexible MOF

Hardware selection and design aspects for reactive distillation columns. A case study on synthesis of TAME

Harnessing Lewis acidic open metal sites of metal–organic frameworks: the foremost route to achieve highly selective benzene sorption over cyclohexane

scientific article published on 18 May 2016

High Adsorption Capacity and Selectivity of SO<sub>2</sub> over CO<sub>2</sub> in a Metal-Organic Framework

scientific article published on 17 December 2020

High CO2/N2/O2/CO separation in a chemically robust porous coordination polymer with low binding energy

High Separation Capacity and Selectivity of C2 Hydrocarbons over Methane within a Microporous Metal-Organic Framework at Room Temperature

article

High acetylene/ethylene separation in a microporous zinc(ii) metal–organic framework with low binding energy

scientific article published on 01 January 2016

Highlighting Diffusional Coupling Effects in Ternary Liquid Extraction and Comparisons with Distillation

Highlighting Thermodynamic Coupling Effects in Alcohol/Water Pervaporation across Polymeric Membranes

scientific article published on 05 September 2019

Highlighting Thermodynamic Coupling Effects in the Immersion Precipitation Process for Formation of Polymeric Membranes

scientific article published on 10 February 2020

Highlighting a Variety of Unusual Characteristics of Adsorption and Diffusion in Microporous Materials Induced by Clustering of Guest Molecules

scientific article published on 01 June 2010

Highlighting coupling effects in ionic diffusion

Highlighting diffusional coupling effects in zeolite catalyzed reactions by combining the Maxwell–Stefan and Langmuir–Hinshelwood formulations

article published in 2017

Highlighting multiplicity in the Gilliland solution to the Maxwell-Stefan equations describing diffusion distillation

article by Rajamani Krishna published June 2017 in Chemical Engineering Science

Highlighting pitfalls in the Maxwell–Stefan modeling of water–alcohol mixture permeation across pervaporation membranes

Highlighting the Anti-Synergy between Adsorption and Diffusion in Cation-Exchanged Faujasite Zeolites

scientific article published on 8 April 2022

Highlighting the Influence of Thermodynamic Coupling on Kinetic Separations with Microporous Crystalline Materials

Highlighting the origins and consequences of thermodynamic non-idealities in mixture separations using zeolites and metal-organic frameworks

Highly scalable acid-base resistant Cu-Prussian blue metal-organic framework for C2H2/C2H4, biogas, and flue gas separations

Highly selective adsorption of ethylene over ethane in a MOF featuring the combination of open metal site and π-complexation

scientific article published on 01 February 2015

Highly selective adsorption of p-xylene over other C8 aromatic hydrocarbons by Co-CUK-1: a combined experimental and theoretical assessment

scientific article

Highly selective separation of small hydrocarbons and carbon dioxide in a metal–organic framework with open copper(ii) coordination sites

article

Highly selective water adsorption in a lanthanum metal-organic framework

scientific article published on 27 May 2014

Hindering effects in diffusion of CO2/CH4 mixtures in ZIF-8 crystals

How Reliable Is the Ideal Adsorbed Solution Theory for the Estimation of Mixture Separation Selectivities in Microporous Crystalline Adsorbents?

scientific article published on 15 June 2021

Hydrocarbon separations in a metal-organic framework with open iron(II) coordination sites

scientific article published on March 2012

Hydrodynamics and mass transfer in an upflow monolith loop reactor

Hydrodynamics and mass transfer in bubble columns in operating in the churn-turbulent regime

Hydrodynamics of Distillation Tray Column with Structured Catalyst Containing Envelopes: Experiments versus CFD Simulations

Hydrodynamics of Taylor Flow in Vertical Capillaries: Flow Regimes, Bubble Rise Velocity, Liquid Slug Length, and Pressure Drop

article published in 2005

Hydrodynamics of internal air-lift reactors: experiments versus CFD simulations

article published in 2003

Hydrodynamics of reactive distillation tray column with catalyst containing envelopes: experiments vs. CFD simulations

Hydrogen bonding effects in adsorption of water-alcohol mixtures in zeolites and the consequences for the characteristics of the Maxwell-Stefan diffusivities

scientific article published in July 2010

Hydroquinone and Quinone-Grafted Porous Carbons for Highly Selective CO2 Capture from Flue Gases and Natural Gas Upgrading

scientific article

Improving Gas-Liquid Mass Transfer in Bubble Columns by Applying Low-Frequency Vibrations

article

Improving gas–liquid contacting in bubble columns by vibration excitement

article

Improving mass transfer in gas–liquid dispersions by vibration excitement

article

In silico screening of metal–organic frameworks in separation applications ⬇️

scientific article published on May 3, 2011

In silico screening of zeolite membranes for CO2 capture

In-Depth Study of Mass Transfer in Nanoporous Materials by Micro-Imaging

article published in 2011

In-Situ Stripping of H2S in Gasoil Hydrodesulphurization

Incorporating the Loading Dependence of the Maxwell−Stefan Diffusivity in the Modeling of CH4and CO2Permeation Across Zeolite Membranes

Induced Fit of C 2 H 2 in a Flexible MOF Through Cooperative Action of Open Metal Sites

Induced Fit of C2 H2 in a Flexible MOF Through Cooperative Action of Open Metal Sites

scientific article published on 09 May 2019

Inflection in the loading dependence of the Maxwell–Stefan diffusivity of iso-butane in MFI zeolite

Influence of Mass Transfer in Distillation of Mixtures with a Distillation Boundary

article published in 1999

Influence of adsorption on the diffusion selectivity for mixture permeation across mesoporous membranes

Influence of adsorption thermodynamics on guest diffusivities in nanoporous crystalline materials ⬇️

scientific article published on April 29, 2013

Influence of alcohol addition on gas hold-up in bubble columns: Development of a scale up model

article

Influence of column hardware on the performance of reactive distillation columns

Influence of elevated pressure on the stability of bubbly flows

Influence of gas density on the stability of homogeneous flow in bubble columns

article published in 1993

Influence of increased gas density on hydrodynamics of bubble-column reactors

Influence of interphase mass transfer on the composition trajectories and crossing of boundaries in ternary azeotropic distillation

article

Influence of isotherm inflection on diffusion in silicalite

Influence of isotherm inflection on the diffusivities of C5–C8 linear alkanes in MFI zeolite

Influence of isotherm inflection on the loading dependence of the diffusivities of n-hexane and n-heptane in MFI zeolite. Quasi-elastic neutron scattering experiments supplemented by molecular simulations

scientific article published in February 2006

Influence of low-frequency vibrations on bubble and drop sizes formed at a single orifice

article

Influence of mass transfer in distillation: Feasibility and design

Influence of mass transfer in distillation: Residue curves and total reflux

Influence of non condensables on the condensation of vapour mixture forming immiscible liquids

Influence of scale on the hydrodynamics of bubble column reactors: an experimental study in columns of 0.1, 0.4 and 1m diameters

Influence of scale on the hydrodynamics of bubble columns operating in the churn-turbulent regime: experiments vs. Eulerian simulations

article published in 1999

Influence of scale on the volumetric mass transfer coefficients in bubble columns

Influence of segregated adsorption on mixture diffusion in DDR zeolite

article

Influence of unequal component efficiencies on trajectories during distillation of a homogeneous azeotropic mixture

Influence of waxes on the flow properties of Bombay high crude

Insights into diffusion of gases in zeolites gained from molecular dynamics simulations

article

Insights into the thermodynamic-kinetic synergistic separation of propyne/propylene in anion pillared cage MOFs with entropy-enthalpy balanced adsorption sites

Intensification of bubble columns by vibration excitement

article

Inter-relation between self- and jump-diffusivities in zeolites

Interplay of Metalloligand and Organic Ligand to Tune Micropores within Isostructural Mixed-Metal Organic Frameworks (M′MOFs) for Their Highly Selective Separation of Chiral and Achiral Small Molecules

article

Interpreting Unary, Binary, and Ternary Mixture Permeation Across a SAPO-34 Membrane with Loading-Dependent Maxwell−Stefan Diffusivities

article

Introduction of π-complexation into porous aromatic framework for highly selective adsorption of ethylene over ethane

scientific article published on 5 June 2014

Investigating Cluster Formation in Adsorption of CO2, CH4, and Ar in Zeolites and Metal Organic Frameworks at Subcritical Temperatures

article

Investigating the Relative Influences of Molecular Dimensions and Binding Energies on Diffusivities of Guest Species Inside Nanoporous Crystalline Materials

article

Investigating the Validity of the Knudsen Diffusivity Prescription for Mesoporous and Macroporous Materials

Investigating the Validity of the Knudsen Prescription for Diffusivities in a Mesoporous Covalent Organic Framework

article

Investigating the influence of diffusional coupling on mixture permeation across porous membranes

Investigating the non-idealities in adsorption of CO2-bearing mixtures in cation-exchanged zeolites

Investigating the potential of MgMOF-74 membranes for CO2 capture

Investigating the reasons for the significant influence of lattice flexibility on self-diffusivity of ethane in Zn(tbip)

article by K. Seehamart et al published May 2010 in Microporous and Mesoporous Materials

Investigating the validity of the Bosanquet formula for estimation of diffusivities in mesopores

article

Investigation of entropy effects during sorption of mixtures of alkanes in MFI zeolite

article published in 2002

Investigation of slowing-down and speeding-up effects in binary mixture permeation across SAPO-34 and MFI membranes

Isobaric vapour—liquid equilibria of the systems: Benzene—triethylene glycol, toluene—triethylene glycol and benzene—N-methylpyrrolidone

Isobaric vapourliquid equilibria for the ternary mixture: methyl ethyl ketonewatertoluene

Kinetic Monte Carlo Simulations of the Loading Dependence of Diffusion in Zeolites

Kinetic Monte Carlo simulations of transport diffusivities of binary mixtures in zeolites

Kr/Xe Separation over a Chabazite Zeolite Membrane

scientific article

Large Bubble Sizes and Rise Velocities in a Bubble Column Slurry Reactor

Letter to the Editor

Levitation of air bubbles and slugs in liquids under low-frequency vibration excitement

article

Levitation of air bubbles in liquid under low frequency vibration excitement

article

Light Hydrocarbon Adsorption Mechanisms in Two Calcium-Based Microporous Metal Organic Frameworks

article

Linking the loading dependence of the Maxwell–Stefan diffusivity of linear alkanes in zeolites with the thermodynamic correction factor

Liquid phase dispersion in bubble columns operating in the churn-turbulent flow regime

Liquid-liquid equilibrium in the toluene-methyl ethyl ketone-water system

Liquid-phase backmixing in bubble columns, structured by introduction of partition plates

Liquid-phase mass transfer within KATAPAK-S® structures studied using computational fluid dynamics simulations

Liquid—liquid equilibrium in tihe system glycerol—water—acetone at 25°C

Loading Dependence of Self-Diffusivities of Gases in Zeolites

article published in 2007

Low-energy regeneration and high productivity in a lanthanide-hexacarboxylate framework for high-pressure CO2-CH4-H2 separation

scientific article published in August 2013

MD Simulations of Diffusivities in Methanol-n-hexane Mixtures Near the Liquid-liquid Phase Splitting Region

MIL-100Cr with open Cr sites for a record N2O capture

scientific article published on 01 December 2018

Mass and heat transfer to spheres, cylinders and planar surfaces: A unified “film” model description

article

Mass transfer from Taylor bubbles rising in single capillaries

Mass transfer in bubble columns

article published in 2003

Mass-transfer efficiency of sieve tray extraction columns

Maxwell–Stefan modeling of slowing-down effects in mixed gas permeation across porous membranes

Metal–Organic Framework Based Hydrogen-Bonding Nanotrap for Efficient Acetylene Storage and Separation

scientific article published on 29 December 2021

Metal–Organic Framework with Functional Amide Groups for Highly Selective Gas Separation

article

Metal–organic frameworks with potential for energy-efficient adsorptive separation of light hydrocarbons

article

Metal−Organic Frameworks as Adsorbents for Hydrogen Purification and Precombustion Carbon Dioxide Capture

scientific article (publication date: 20 April 2011)

Methane storage mechanism in the metal-organic framework Cu3(btc)2: An in situ neutron diffraction study

article

Method for Analyzing Structural Changes of Flexible Metal−Organic Frameworks Induced by Adsorbates

article

Methodologies for evaluation of metal–organic frameworks in separation applications

article

Methodologies for screening and selection of crystalline microporous materials in mixture separations

Metrics for Evaluation and Screening of Metal-Organic Frameworks for Applications in Mixture Separations

scientific article published on 10 July 2020

Microimaging of transient guest profiles to monitor mass transfer in nanoporous materials

scientific article published in April 2014

Microporous Metal-Organic Framework with a Completely Reversed Adsorption Relationship for C2 Hydrocarbons at Room Temperature

scientific article published on 22 January 2020

Microporous Metal–Organic Framework with Dual Functionalities for Efficient Separation of Acetylene from Light Hydrocarbon Mixtures

Microporous metal-organic framework with dual functionalities for highly efficient removal of acetylene from ethylene/acetylene mixtures

scientific article published on 4 June 2015

Microporous metal-organic framework with potential for carbon dioxide capture at ambient conditions

scientific article published in Nature Communications

Microporous metal–organic frameworks for storage and separation of small hydrocarbons

article

Mixed Metal-Organic Framework with Multiple Binding Sites for Efficient C2 H2 /CO2 Separation

scientific article published on 30 January 2020

Mixture diffusion in zeolites studied by MAS PFG NMR and molecular simulation

Modeling Permeation of CO2/CH4, CO2/N2, and N2/CH4Mixtures Across SAPO-34 Membrane with the Maxwell−Stefan Equations

article published in 2007

Modeling of a reactive separation process using a nonequilibrium stage model

Modeling the occupancy dependence of diffusivities in zeolites

Modelling Sieve Tray Hydraulics Using Computational Fluid Dynamics

article

Modelling issues in zeolite based separation processes

article

Modelling of simultaneous mass and heat transfer with chemical reaction using the Maxwell-Stefan theory—II. Non-isothermal study

Modelling reactive distillation

article published in 2000

Modelling sieve tray hydraulics using computational fluid dynamics

article

Molecular Sieving of Ethane from Ethylene through the Molecular Cross-Section Size Differentiation in Gallate-based Metal-Organic Frameworks

Molecular Simulations of Adsorption Isotherms for Linear and Branched Alkanes and Their Mixtures in Silicalite

Molecular dynamics investigation of the self-diffusion of binary mixture diffusion in the metal-organic framework Zn(tbip) accounting for framework flexibility

article

Molecular sieving of ethane from ethylene through the minimum molecular dimension differentiation in gallate-based metal-organic frameworks

Molecular sieving of ethylene from ethane using a rigid metal-organic framework

Molecular simulations in zeolitic process design

article published in 2003

Molecular simulations of adsorption and siting of light alkanes in silicalite-1

article by Rajamani Krishna & D. Paschek published 2001 in Physical Chemistry Chemical Physics

Monte Carlo simulations in zeolites

article published in 2001

Monte Carlo simulations of self- and transport-diffusivities of 2-methylhexane in silicalite

Monte Carlo simulations of sorption and diffusion of isobutane in silicalite

Multicomponent Gaseous Diffusion in Porous Media in the Transition Region. A Matrix Method for Calculation of Steady-State Transport Rates

Multicomponent mass transfer in turbulent flow

Multicomponent reaction engineering model for Fe-catalyzed Fischer–Tropsch synthesis in commercial scale slurry bubble column reactors

Multicomponent surface diffusion of adsorbed species: a description based on the generalized Maxwell—Stefan equations

article

Multiple solutions in reactive distillation for methyl tert-butyl ether synthesis

article published in 1993

Mutual Slowing-Down Effects in Mixture Diffusion in Zeolites

Natural Gas Purification Using a Porous Coordination Polymer with Water and Chemical Stability

scientific article published on 17 April 2015

Newly designed 1,2,3-triazole functionalized covalent triazine frameworks with exceptionally high uptake capacity for both CO2 and H2

Nickel-4′-(3,5-dicarboxyphenyl)-2,2′,6′,2″-terpyridine Framework: Efficient Separation of Ethylene from Acetylene/Ethylene Mixtures with a High Productivity

scientific article published on 24 July 2018

Nitrogen-doped porous carbons for highly selective CO2 capture from flue gases and natural gas upgrading

scholarly article published September 2015

Nonequilibrium Cell Model for Packed Distillation ColumnsThe Influence of Maldistribution

Nonequilibrium Modeling of Reactive Distillation: A Dusty Fluid Model for Heterogeneously Catalyzed Processes

Nonequilibrium Molecular Dynamics Simulations of Diffusion of Binary Mixtures Containing Shortn-Alkanes in Faujasite

article

Nonequilibrium cell model for multicomponent (reactive) separation processes

article published in 1999

Nonequilibrium modeling of three-phase distillation

Nonequilibrium modelling of reactive distillation: Multiple steady states in MTBE synthesis

Novel MOF-Membrane for Molecular Sieving Predicted by IR-Diffusion Studies and Molecular Modeling

article

Occupancy Dependency of Maxwell-Stefan Diffusivities in Ordered Crystalline Microporous Materials

On the Inflection in the Concentration Dependence of the Maxwell−Stefan Diffusivity of CF4in MFI Zeolite

On the Langmuir–Hinshelwood formulation for zeolite catalysed reactions

Onsager coefficients for binary mixture diffusion in nanopores

Penetration depths in multicomponent mass transfer

article published in 1978

Permeation of Hexane Isomers across ZSM-5 Zeolite Membranes

Physical significance of the mass transfer coefficient

Polyamine-Tethered Porous Polymer Networks for Carbon Dioxide Capture from Flue Gas

scientific article published on 19 June 2012

Pore Space Partition within a Metal–Organic Framework for Highly Efficient C2H2/CO2 Separation

scientific article published on 22 February 2019

Pore chemistry and size control in hybrid porous materials for acetylene capture from ethylene

scientific article published on 19 May 2016

Pore-Nanospace Engineering of Mixed-Ligand Metal–Organic Frameworks for High Adsorption of Hydrofluorocarbons and Hydrochlorofluorocarbons

scientific article published on 25 May 2022

Pore-Space-Partition-Enabled Exceptional Ethane Uptake and Ethane-Selective Ethane-Ethylene Separation

scientific article published on 27 January 2020

Porous Polymer Networks: Synthesis, Porosity, and Applications in Gas Storage/Separation

Potential of metal-organic frameworks for separation of xenon and krypton

scientific article published on 5 December 2014

Potential of microporous metal–organic frameworks for separation of hydrocarbon mixtures

article

Pre-design and synthesis of a five-fold interpenetrated pcu-type porous coordination polymer and its CO2/CO separation

Predicting transport diffusivities of binary mixtures in zeolites

Preface

Preparation of benzodiimidazole-containing covalent triazine frameworks for enhanced selective CO2 capture and separation

Problems and pitfalls in the use of the fick formulation for intraparticle diffusion

Propane-Trapping Ultramicroporous Metal–Organic Framework in the Low-Pressure Area toward the Purification of Propylene

scientific article published on 21 July 2021

Quantification of binary diffusion in protein crystals

scientific article

Quasi-Orthogonal Configuration of Propylene within a Scalable Metal–Organic Framework Enables Its Purification from Quinary Propane Dehydrogenation Byproducts

scientific article published on 22 July 2022

Radial and axial dispersion of the liquid phase within a KATAPAK-S ® structure: experiments vs. CFD simulations

Rapid hydrocarbon type separation of vacuum residues

Rational Construction of Ultrahigh Thermal Stable MOF for Efficient Separation of MTO Products and Natural Gas

Reactive separations: more ways to skin a cat

article by Rajamani Krishna published May 2002 in Chemical Engineering Science

Reactor development for conversion of natural gas to liquid fuels: A scale-up strategy relying on hydrodynamic analogies

article

Reactor simulation of benzene ethylation and ethane dehydrogenation catalyzed by ZSM-5: A multiscale approach

article published in 2010

Realization of Ethylene Production from Its Quaternary Mixture through Metal–Organic Framework Materials

scientific article published on 6 May 2021

Redox-Active Metal-Organic Composites for Highly Selective Oxygen Separation Applications

article

Relation between pore sizes of protein crystals and anisotropic solute diffusivities

scientific article published in January 2005

Reply to J. J. Kallas

Reply to Letter to the Editor

Reprint of: CO2/CH4, CH4/H2 and CO2/CH4/H2 separations at high pressures using Mg2(dobdc)

Reprint of: Transient breakthroughs of CO 2 /CH 4 and C 3 H 6 /C 3 H 8 mixtures in fixed beds packed with Ni-MOF-74

Resolving steady-state multiplicities for diffusion with surface chemical reaction by invoking the Prigogine principle of minimum entropy production

article

Response to comments on “Exploiting the Bjerknes force in bubble column reactors” by M.H.I. Baird

Rise characteristics of gas bubbles in a 2D rectangular column: VOF simulations vs experiments

Rise velocity of a swarm of large gas bubbles in liquids

Rise velocity of single circular-cap bubbles in two-dimensional beds of powders and liquids

Robust 4d–5f Bimetal–Organic Framework for Efficient Removal of Trace SO2 from SO2/CO2 and SO2/CO2/N2 Mixtures

scientific article published on 15 January 2021

SEPARATION-IRREVERSIBLE THERMO A UNIFIED THEORY OF SEPARATION PROCESSES BASED ON

Scale Effects on the Hydrodynamics of Bubble Columns Operating in the Heterogeneous Flow Regime

article published in 2004

Scale Effects on the Hydrodynamics of Bubble Columns Operating in the Homogeneous Flow Regime

Scale Up of Slurry Bubble Reactors

Scale effects in fluidized multiphase reactors

Scale-up strategy for bubble column slurry reactors using CFD simulations

Scaling up Bubble Column Reactors with Highly Viscous Liquid Phase

Scaling up Bubble Column Reactors with the Aid of CFD

Screening Metal–Organic Frameworks by Analysis of Transient Breakthrough of Gas Mixtures in a Fixed Bed Adsorber

article

Screening metal-organic frameworks for separation of pentane isomers

scientific article

Screening metal–organic frameworks for mixture separations in fixed-bed adsorbers using a combined selectivity/capacity metric

article

Segregation effects in adsorption of CO2-containing mixtures and their consequences for separation selectivities in cage-type zeolites

Selective Adsorption of Water from Mixtures with 1-Alcohols by Exploitation of Molecular Packing Effects in CuBTC

article

Selective Ethane/Ethylene Separation in a Robust Microporous Hydrogen-Bonded Organic Framework

scientific article published on 20 December 2019

Selective binding of O2 over N2 in a redox-active metal-organic framework with open iron(II) coordination sites

scientific article published on 26 August 2011

Selective krypton uptake through trap confinement, formation of Kr2 dimer, and light response in a photochromic and radiation-resistant thorium-diarylethene-framework

scientific article published in January 2023

Selectivity of consecutive—zero order followed by first order—reaction sequence

Self-diffusivities in multicomponent mixtures in zeolites

Separating mixtures by exploiting molecular packing effects in microporous materials

scientific article published in January 2015

Separating n-alkane mixtures by exploiting differences in the adsorption capacity within cages of CHA, AFX and ERI zeolites

Separating xylene isomers by commensurate stacking of p-xylene within channels of MAF-X8.

scientific article published on 10 June 2014

Separation of Alkane Isomers by Exploiting Entropy Effects during Adsorption on Silicalite-1: A Configurational-Bias Monte Carlo Simulation Study

article

Separation of benzene from mixtures with water, methanol, ethanol, and acetone: highlighting hydrogen bonding and molecular clustering influences in CuBTC.

scientific article published on 13 July 2015

Separation of hexane isomers in a metal-organic framework with triangular channels

scientific article

Separation of hydrocarbon mixtures using zeolite membranes: a modelling approach combining molecular simulations with the Maxwell–Stefan theory

article published in 2000

Separation of linear, mono-methyl and di-methyl alkanes in the 5–7 carbon atom range by exploiting configurational entropy effects during sorption on silicalite-1

Separation of polar compounds using a flexible metal–organic framework

article

Shaken, not stirred, bubble column reactors: Enhancement of mass transfer by vibration excitement

article

Significant Enhancement of C2 H2 /C2 H4 Separation by a Photochromic Diarylethene Unit: A Temperature- and Light-Responsive Separation Switch.

scientific article published on 24 April 2017

Simple gas chromatographic determination of the distribution of normal alkanes in the kerosene fraction of petroleum

Simulating the Rise Characteristics of Gas Bubbles in Liquids Using CFD

Simulating the motion of gas bubbles in a liquid

scientific article published in Nature

Simulation of the transient and steady state behaviour of a bubble column slurry reactor for Fischer–Tropsch synthesis

Simultaneous interlayer and intralayer space control in two-dimensional metal-organic frameworks for acetylene/ethylene separation

scientific article published on 07 December 2020

Size, structure and dynamics of “large” bubbles in a two-dimensional slurry bubble column

Sorption-Induced Diffusion-Selective Separation of Hydrocarbon Isomers Using Silicalite

Strong influence of the H2 binding energy on the Maxwell–Stefan diffusivity in NU-100, UiO-68, and IRMOF-16

article published in 2014

Structural flexibility in cationic metal–organic framework for boosting ReO4− capture

Studies on permeation of hydrocarbons through liquid membranes in a continuous contactor

Sulfonate-grafted porous polymer networks for preferential CO2 adsorption at low pressure

scientific article published on 24 October 2011

Synergistic and Antisynergistic Intracrystalline Diffusional Influences on Mixture Separations in Fixed-Bed Adsorbers

Synergistically enhance confined diffusion by continuum intersecting channels in zeolites

scientific article published in March 2021

Synthesis of Cu(I) doped mesoporous carbon for selective capture of ethylene from reaction products of oxidative coupling of methane (OCM)

scientific article published in December 2021

Tailor-Made Pore Surface Engineering in Covalent Organic Frameworks: Systematic Functionalization for Performance Screening

scientific article published on 2 June 2015

Ternary mass transfer in liquid-liquid extraction

Th-MOF showing six-fold imide-sealed pockets for middle-size-separation of propane from nature gas

scientific article published on 24 September 2021

The Darken Relation for Multicomponent Diffusion in Liquid Mixtures of Linear Alkanes: An Investigation Using Molecular Dynamics (MD) Simulations

article

The Maxwell-Stefan approach to mass transfer

The Maxwell-Stefan description of mass transport across zeolite membranes

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

The Maxwell–Stefan description of mixture permeation across nanoporous graphene membranes

The effectiveness factor for zeolite catalysed reactions

The generalized Maxwell–Stefan model for diffusion in zeolites:

article

The influence of mass transfer and mixing on the performance of a tray column for reactive distillation

The need for using rigorous rate-based models for simulations of ternary azeotropic distillation

article

Thermal resistance effect on anomalous diffusion of molecules under confinement

scientific article published on 25 May 2021

Thermodynamic Insights into the Characteristics of Unary and Mixture Permeances in Microporous Membranes

scientific article published on 30 May 2019

Thermodynamically Consistent Methodology for Estimation of Diffusivities of Mixtures of Guest Molecules in Microporous Materials

scientific article published on 02 August 2019

Thermosensitive gating effect and selective gas adsorption in a porous coordination nanocage ⬇️

scientific article published on September 2, 2010

Three-phase Eulerian simulations of bubble column reactors operating in the churn-turbulent regime: a scale up strategy

Titanium‐Oxo Cluster Assisted Fabrication of a Defect‐Rich Ti‐MOF Membrane Showing Versatile Gas‐Separation Performance

scientific article published on 3 May 2022

Titanium‐Oxo Cluster Assisted Fabrication of a Defect‐Rich Ti‐MOF Membrane Showing Versatile Gas‐Separation Performance

article published in 2022

Tracing the origins of transient overshoots for binary mixture diffusion in microporous crystalline materials

scientific article published on 27 May 2016

Transferable Force Field for Carbon Dioxide Adsorption in Zeolites

Transient breakthroughs of CO2/CH4 and C3H6/C3H8 mixtures in fixed beds packed with Ni-MOF-74

Two Analogous Polyhedron-Based MOFs with High Density of Lewis Basic Sites and Open Metal Sites: Significant CO2 Capture and Gas Selectivity Performance

scientific article published on 7 September 2017

Two-Dimensional Metal–Organic Framework with Ultrahigh Water Stability for Separation of Acetylene from Carbon Dioxide and Ethylene

scientific article published on 12 July 2022

Two-Effects-in-One: Kinetic Quantum and Molecular Sieving Effect in a Robust-Flexible [Th6Co2] Cage for both Isotope and Isomer Separation

scientific article published on 9 November 2020

Two-dimensional covalent organic frameworks for carbon dioxide capture through channel-wall functionalization

scientific article published on 22 January 2015

UTSA-74: A MOF-74 Isomer with Two Accessible Binding Sites per Metal Center for Highly Selective Gas Separation.

scientific article published on 26 April 2016

Ultrahigh and Selective SO2 Uptake in Inorganic Anion-Pillared Hybrid Porous Materials

scientific article published on 31 May 2017

Uncommon Synergy between Adsorption and Diffusion of Hexane Isomer Mixtures in MFI Zeolite Induced by Configurational Entropy Effects

article published in 2014

Understanding How Ligand Functionalization Influences CO and N Adsorption in a Sodalite Metal-Organic Framework

scientific article published in 2020

Understanding the role of sodium during adsorption: a force field for alkanes in sodium-exchanged faujasites.

scientific article published in September 2004

Unified Maxwell–Stefan description of binary mixture diffusion in micro- and meso-porous materials

United Atom Force Field for Alkanes in Nanoporous Materials

Unsteady-state modeling and analysis for liquid surfactant membrane hydrocarbon separation processes

Uphill diffusion in multicomponent mixtures

scientific article

Use of additives to enhance the selectivity of liquid surfactant membranes

scientific article

Use of an axial-dispersion model for kinetic description of hydrocracking

article

Using CFD for scaling up gas–solid bubbling fluidised bed reactors with Geldart A powders

Using Molecular Dynamics simulations for elucidation of molecular traffic in ordered crystalline microporous materials

Using Molecular Simulations for Elucidation of Thermodynamic Nonidealities in Adsorption of CO2-Containing Mixtures in NaX Zeolite

scientific article published on 07 August 2020

Using Molecular Simulations to Unravel the Benefits of Characterizing Mixture Permeation in Microporous Membranes in Terms of the Spreading Pressure

scientific article published on 10 December 2020

Using molecular simulations for screening of zeolites for separation of CO2/CH4 mixtures

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

Using the spreading pressure to inter-relate the characteristics of unary, binary and ternary mixture permeation across microporous membranes

scientific article published in March 2022

Utilisation of bubble resonance phenomena to improve gas-liquid contact

scientific article published on 01 October 2000

Utilizing the Gate-Opening Mechanism in ZIF-7 for Adsorption Discrimination between N2O and CO2

Validating the Darken Relation for Diffusivities in Fluid Mixtures of Varying Densities by Use of MD Simulations

Validation of the Eulerian simulated dynamic behaviour of gas–solid fluidised beds

Verification of the Maxwell–Stefan theory for diffusion of three-component mixtures in zeolites

Verification of the Maxwell–Stefan theory for mixture diffusion in zeolites by comparison with MD simulations

Verification of the Maxwell–Stefan theory for tracer diffusion in zeolites

Vibration-induced granular segregation in a pseudo-2D column: The (reverse) Brazil nut effect

article

Visbreaking studies on Aghajari long residue

Volumetric mass transfer coefficient in a slurry bubble column operating in the heterogeneous flow regime

Wall effects on the rise of single gas bubbles in liquids

article by Rajamani Krishna et al published August 1999 in International Communications in Heat and Mass Transfer

Water-Stable Europium 1,3,6,8-Tetrakis(4-carboxylphenyl)pyrene Framework for Efficient C2H2/CO2 Separation

scientific article published on 27 March 2019

Water/Alcohol Mixture Adsorption in Hydrophobic Materials: Enhanced Water Ingress Caused by Hydrogen Bonding

scientific article published on 22 October 2020

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