List of works by Ali Poursaeidesfahani

Behavior of the Enthalpy of Adsorption in Nanoporous Materials Close to Saturation Conditions

scientific article published on 18 May 2017

Brick-CFCMC: open source software for Monte Carlo simulations of phase and reaction equilibria using the Continuous Fractional Component method

scientific article published on 10 April 2020

Chemical potentials of water, methanol, carbon dioxide and hydrogen sulphide at low temperatures using continuous fractional component Gibbs ensemble Monte Carlo

Computation of partial molar properties using continuous fractional component Monte Carlo

Computation of the Heat and Entropy of Adsorption in Proximity of Inflection Points

article published in 2016

Computation of thermodynamic properties in the continuous fractional component Monte Carlo Gibbs ensemble

Design, characterization and model validation of a LED-based photocatalytic reactor for gas phase applications

scholarly article by Fatemeh Khodadadian et al published February 2018 in Chemical Engineering Journal

Direct Free Energy Calculation in the Continuous Fractional Component Gibbs Ensemble

scientific article published on 29 February 2016

Efficient Application of Continuous Fractional Component Monte Carlo in the Reaction Ensemble

scientific article published on 24 July 2017

Hydride Transfer versus Deprotonation Kinetics in the Isobutane-Propene Alkylation Reaction: A Computational Study.

scientific article published on 9 November 2017

Improving Olefin Purification Using Metal Organic Frameworks with Open Metal Sites

scientific article published on 03 May 2018

Influence of Nanoscale Intimacy and Zeolite Micropore Size on the Performance of Bifunctional Catalysts for <i>n</i>-Heptane Hydroisomerization

scientific article published on 21 November 2020

Kinetics of zeolite-catalyzed heptane hydroisomerization and hydrocracking with CBMC-modeled adsorption terms: Zeolite Beta as a large pore base case

scientific article published in November 2022

Model-Based Optimization of a Photocatalytic Reactor with Light-Emitting Diodes

scholarly article by Fatemeh Khodadadian et al published 6 July 2016 in Chemical Engineering and Technology

Optimization of Particle Transfers in the Gibbs Ensemble for Systems with Strong and Directional Interactions Using CBMC, CFCMC, and CB/CFCMC

Prediction of adsorption isotherms from breakthrough curves

scientific article

Product shape selectivity of MFI-type, MEL-type, and BEA-type zeolites in the catalytic hydroconversion of heptane

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