Oil & Gas Science and Technology - Revue d'IFP Energies nouvelles

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Article cité :

Equilibrium and Transport Properties of Primary, Secondary and Tertiary Amines by Molecular Simulation

Gustavo A. Orozco, Carlos Nieto-Draghi, Allan D. Mackie, Véronique Lachet

Oil Gas Sci. Technol. – Rev. IFP Energies nouvelles, 69 5 (2014) 833-849

Publié en ligne : 2014-01-29

DOI: https://doi.org/10.2516/ogst/2013144

Citations de cet article :

Gaussian Process-Supported Optimization of the Transferable Anisotropic Mie Potential Force Field for Primary Alkylamines

Maximilian Fleck, Rei Katsuta, Timm Esper, Niels Hansen and Joachim Gross
Industrial & Engineering Chemistry Research 64 (11) 6170 (2025)
https://doi.org/10.1021/acs.iecr.4c04170

Microscopic Structure of Neat Linear Alkylamine Liquids: An X-Ray Scattering and Computer Simulation Study

Martina Požar, Lena Friedrich, Tristan Millet, Michael Paulus, Christian Sternemann and Aurélien Perera
The Journal of Physical Chemistry B 128 (44) 10925 (2024)
https://doi.org/10.1021/acs.jpcb.4c04855

Self diffusion, viscosity, and surface tension estimations of amines by using AUA4 force field

H.S. Rodriguez-Toledo, L.E. Castro-Anaya and G.A. Orozco
Journal of Molecular Liquids 409 125442 (2024)
https://doi.org/10.1016/j.molliq.2024.125442

Comprehensive Automated Routine Implementation, Validation, and Benchmark of the Anisotropic Force Field (AUA4) Using Python and GROMACS

Luis Eduardo Castro Anaya, Sergio Y. Gómez and Gustavo A. Orozco
The Journal of Physical Chemistry A 127 (6) 1555 (2023)
https://doi.org/10.1021/acs.jpca.2c08335

Experimental and statistical analysis of CO2 absorption in DEA/water nanofluid containing silicon dioxide nanoparticle

Shima Azizi, S.M. Peyghambarzadeh, Mohammad Yousefi and Reza Abedpour
Particulate Science and Technology 41 (5) 674 (2023)
https://doi.org/10.1080/02726351.2022.2134065

Self-diffusion coefficients of amines, a molecular dynamics study

Luis E. Castro-Anaya and Gustavo A. Orozco
Fluid Phase Equilibria 553 113301 (2022)
https://doi.org/10.1016/j.fluid.2021.113301

Dielectric relaxation studies of aqueous primary amines using a time domain reflectometry

Avadhut R. Deshmukh and Ashok C. Kumbharkhane
Indian Journal of Physics 96 (11) 3105 (2022)
https://doi.org/10.1007/s12648-021-02240-9

In the Framework of Global Trade, Sustainability and Industry Demand for Innovative Process and Technologies, what kind of Modern “Green” Chemical Engineering is Required for the Design of “the Factory of the Future”?

Jean-Claude Charpentier
International Journal of Petroleum Technology 6 7 (2019)
https://doi.org/10.15377/2409-787X.2019.06.2

Predictions of fluidities of amines by molecular simulations: TraPPE-EH vs. OPLS-AA

Alejandra Rendón-Calle, Gustavo A. Orozco and Santiago Builes
Fluid Phase Equilibria 464 40 (2018)
https://doi.org/10.1016/j.fluid.2018.02.021

Physical Absorption of Green House Gases in Amines: The Influence of Functionality, Structure, and Cross-Interactions

Gustavo A. Orozco, Véronique Lachet and Allan D. Mackie
The Journal of Physical Chemistry B 120 (51) 13136 (2016)
https://doi.org/10.1021/acs.jpcb.6b09819