List of works - Jose Manuel Vicent-Luna

Acetylene Storage and Separation Using Metal-Organic Frameworks with Open Metal Sites

scientific article published on 16 August 2019

Adsorption and Diffusion of Benzene in Mg-MOF-74 with Open Metal Sites

scientific article published on 17 January 2019

Adsorption of Alkanes in Zeolites LTA and FAU: Quasi-Equilibrated Thermodesorption Supported by Molecular Simulations

scientific article published on 12 November 2019

Adsorption of Cyclohexane in Pure Silica Zeolites: High-Throughput Computational Screening Validated by Experimental Data

scientific article published on 20 November 2018

Adsorption of Linear Alcohols in Amorphous Activated Carbons: Implications for Energy Storage Applications

scientific article published on 10 May 2022

Adsorption of n-Alkanes in MFI and MEL: Quasi-Equilibrated Thermodesorption Combined with Molecular Simulations

Aqueous Solutions of Ionic Liquids: Microscopic Assembly

scientific article published on 7 December 2015

Aqueous cosolvent in Zwitterionic-based PILs as Electrolytes in 2.0 V Supercapacitors

scientific article published on 13 September 2020

Computing bubble-points of CO 2 /CH 4 gas mixtures in ionic liquids from Monte Carlo simulations

EMIMBF4 in ternary liquid mixtures of water, dimethyl sulfoxide and acetonitrile as “tri-solvent-in-salt” electrolytes for high-performance supercapacitors operating at -70 °C

scientific article published in September 2021

Effect of Room-Temperature Ionic Liquids on CO2 Separation by a Cu-BTC Metal–Organic Framework

Effective Model for Olefin/Paraffin Separation using (Co, Fe, Mn, Ni)-MOF-74

Efficient modelling of ion structure and dynamics in inorganic metal halide perovskites

scientific article published in 2020

Electrochemical Reduction of Oxygen in Aprotic Ionic Liquids Containing Metal Cations: A Case Study on the Na-O2 system.

scientific article published on 19 January 2017

Gate-Opening Mechanism of Hydrophilic–Hydrophobic Metal–Organic Frameworks: Molecular Simulations and Quasi-Equilibrated Desorption

Improving Olefin Purification Using Metal Organic Frameworks with Open Metal Sites

scientific article published on 03 May 2018

Inside Cover: Aqueous Solutions of Ionic Liquids: Microscopic Assembly (ChemPhysChem 3/2016)

Inside Cover: Quantum and Classical Molecular Dynamics of Ionic Liquid Electrolytes for Na/Li-based Batteries: Molecular Origins of the Conductivity Behavior (ChemPhysChem 16/2016)

Liquid self-diffusion of H2O and DMF molecules in Co-MOF-74: molecular dynamics simulations and dielectric spectroscopy studies.

scientific article

Micelle Formation in Aqueous Solutions of Room Temperature Ionic Liquids: a Molecular Dynamics Study

scientific article published on 03 August 2017

Molecular Dynamics Analysis of Charge Transport in Ionic-Liquid Electrolytes Containing Added Salt with Mono, Di, and Trivalent Metal Cations

scientific article published on 18 April 2018

Molecular Mechanisms for Adsorption in Cu-BTC Metal Organic Framework

Ordering of n-Alkanes Adsorbed in the Micropores of AlPO4-5: A Combined Molecular Simulations and Quasi-Equilibrated Thermodesorption Study

Phase Transition Induced by Gas Adsorption in Metal-Organic Frameworks

scientific article published on 16 May 2018

Potential of polarizable force fields for predicting the separation performance of small hydrocarbons in M-MOF-74

scientific article published on 01 November 2018

Quantum and Classical Molecular Dynamics of Ionic Liquid Electrolytes for Na/Li-based Batteries: Molecular Origins of the Conductivity Behavior.

scientific article published on 12 May 2016

Quasi-Equilibrated Thermodesorption Combined with Molecular Simulation for Adsorption and Separation of Hexane Isomers in Zeolites MFI and MEL

Role of Ionic Liquid [EMIM]+[SCN]− in the Adsorption and Diffusion of Gases in Metal–Organic Frameworks

scientific article published on 23 August 2018

Separation of CF4/N2, C2F6/N2, and SF6/N2 Mixtures in Amorphous Activated Carbons Using Molecular Simulations

scientific article published on 09 April 2020

Solubilities of CO2, CH4, C2H6, and SO2 in ionic liquids and Selexol from Monte Carlo simulations

Stepped Propane Adsorption in Pure-Silica ITW Zeolite

scientific article published on 10 April 2018

Transitioning from Ionic Liquids to Deep Eutectic Solvents

scientific article published on 10 January 2022

List of works by Jose Manuel Vicent-Luna