Decompression modelling of natural gas-hydrogen mixtures using the Peng-Robinson equation of state
A wide application of hydrogen energy is seen as a viable strategy to reduce the excessive
release of CO 2 in the atmosphere. Large demand requires the hydrogen to be distributed …
release of CO 2 in the atmosphere. Large demand requires the hydrogen to be distributed …
A review of molecular simulation applied in vapor-liquid equilibria (VLE) estimation of thermodynamic cycles
Thermodynamic cycles such as the organic Rankine cycle (ORC), heat pump cycles and
refrigeration cycles are flourishing in both industrial and domestic fields. As a carrier of …
refrigeration cycles are flourishing in both industrial and domestic fields. As a carrier of …
[HTML][HTML] An empirical correlation-based model to predict solid-fluid phase equilibria and phase separation of the ternary system CH4-CO2-H2S
To cover the expected increased demand for natural gas, energy industry has to exploit sour
gas reserves located around the world. However, acid gases have to be removed before …
gas reserves located around the world. However, acid gases have to be removed before …
[HTML][HTML] Mass transfer modeling and sensitivity study of low-temperature Fischer-Tropsch synthesis
SB Øyen, HA Jakobsen, T Haug-Warberg… - Chemical Engineering …, 2022 - Elsevier
Abstract An industrial-scale Fischer–Tropsch (FT) slurry bubble column reactor (SBCR) was
theoretically investigated, emphasizing the mass transfer between the gas and slurry …
theoretically investigated, emphasizing the mass transfer between the gas and slurry …
Thermophysical Properties and Phase Behavior of CO2 with Impurities: Insight from Molecular Simulations
Experimentally determining thermophysical properties for various compositions commonly
found in CO2 transportation systems is extremely challenging. To overcome this challenge …
found in CO2 transportation systems is extremely challenging. To overcome this challenge …
Theoretical Study of CH4 and CO2 Separation by IRMOFs
Porous materials such as isoreticular metal–organic frameworks (IRMOFs) can be applied in
several areas that explore the physical adsorption. An area that has gained prominence is …
several areas that explore the physical adsorption. An area that has gained prominence is …
Gibbs Ensemble Monte Carlo for Reactive Force Fields to Determine the Vapor–Liquid Equilibrium of CO2 and H2O
Absorption and reactive properties of fluids in porous media are key to the design and
improvement of numerous energy related applications. Molecular simulations of these …
improvement of numerous energy related applications. Molecular simulations of these …
Gibbs ensemble Monte Carlo simulations of multicomponent natural gas mixtures
Vapour–liquid equilibrium (VLE) and volumetric data of multicomponent mixtures are
extremely important for natural gas production and processing, but it is time consuming and …
extremely important for natural gas production and processing, but it is time consuming and …
How well can damped shifted force Monte Carlo predict vapor–liquid equilibria for natural gas systems?
AS Zimmermann, R Lírio, BM Castro… - Brazilian Journal of …, 2024 - Springer
The petroleum industry has encountered significant challenges, particularly following the
identification and exploration of pre-salt reserves in Brazil. The existing methods of …
identification and exploration of pre-salt reserves in Brazil. The existing methods of …
Molecular simulation of the vapor-liquid equilibria of xylene mixtures: Force field performance, and Wolf vs. Ewald for electrostatic interactions
This article explores how well vapor-liquid equilibria of pure components and binary
mixtures of xylenes can be predicted using different force fields in molecular simulations …
mixtures of xylenes can be predicted using different force fields in molecular simulations …