Pipeline transport of CO2 mixtures: Models for transient simulation
This paper reviews current research challenges related to the modelling of transient flow of
multiphase CO2-rich mixtures in pipes. This is relevant not only for events like start-up …
multiphase CO2-rich mixtures in pipes. This is relevant not only for events like start-up …
Thermodynamic modeling with equations of state: present challenges with established methods
Ø Wilhelmsen, A Aasen, G Skaugen… - Industrial & …, 2017 - ACS Publications
Equations of state (EoS) are essential in the modeling of a wide range of industrial and
natural processes. Desired qualities of EoS are accuracy, consistency, computational speed …
natural processes. Desired qualities of EoS are accuracy, consistency, computational speed …
Comprehensive review on physical properties of supercritical carbon dioxide calculated by molecular simulation
G Liao, Y Du, F Zhang, JE - Korean Journal of Chemical Engineering, 2023 - Springer
The applications of molecular simulation in supercritical carbon dioxide (S-CO2) and its
mixtures are reviewed. First, an overview of physical properties of S-CO2 and CO2 models is …
mixtures are reviewed. First, an overview of physical properties of S-CO2 and CO2 models is …
[HTML][HTML] Application of thermodynamics at different scales to describe the behaviour of fast reacting binary mixtures in vapour-liquid equilibrium
The use of reactive working fluids in thermodynamic cycles is currently being considered as
an alternative to inert working fluids, because of the preliminarily attested higher energy …
an alternative to inert working fluids, because of the preliminarily attested higher energy …
Solubilities of CO2, CH4, C2H6, CO, H2, N2, N2O, and H2S in commercial physical solvents from Monte Carlo simulations
The removal of acid gas impurities from synthesis gas or natural gas can be achieved using
several physical solvents. Examples of solvents applied on a commercial scale include …
several physical solvents. Examples of solvents applied on a commercial scale include …
Phase equilibrium of CCS mixtures: Equation of state modeling and Monte Carlo simulation
To understand the role played by the impurities (such as N 2, Ar, H 2, CO, SO 2, O 2 and NO)
during the processes of Carbon Dioxide Capture and Storage (CCS), it is essential to know …
during the processes of Carbon Dioxide Capture and Storage (CCS), it is essential to know …
Validation of the CO2/N2O Analogy Using Molecular Simulation
CO2 readily reacts in aqueous amine solutions. The properties of free CO2 in amine
solutions are therefore difficult to obtain directly and are often predicted from the nonreacting …
solutions are therefore difficult to obtain directly and are often predicted from the nonreacting …
Henry's Law Constants and Vapor–Liquid Distribution Coefficients of Noncondensable Gases Dissolved in Carbon Dioxide
SB Martynov, RTJ Porter, H Mahgerefteh - ACS omega, 2022 - ACS Publications
The accurate determination of the solubilities of the typical impurity gases present in
captured CO2 in the carbon capture, utilization, and storage chain is an essential …
captured CO2 in the carbon capture, utilization, and storage chain is an essential …
Development of reaction–diffusion DFT and its application to catalytic oxidation of NO in porous materials
Y Liu, H Liu - AIChE Journal, 2020 - Wiley Online Library
The reaction–diffusion (RD) process is an important and complex subject that involves
nonequilibrium modeling and multiscale calculations and may be applied to multiple fields …
nonequilibrium modeling and multiscale calculations and may be applied to multiple fields …
Structure, stability, and storage capacity of CO2+ N2O mixed hydrates for the storage of CO2+ N2O mixture gas
In this study, we evaluated the feasibility of using CO 2+ N 2 O mixed gas hydrates for the
development of advanced greenhouse gas (GHG) sequestration technology. Structural …
development of advanced greenhouse gas (GHG) sequestration technology. Structural …