Thermal Properties of Supercritical Carbon Dioxide by Monte Carlo Simulations

Colina, Coray M.; Olivera-Fuentes, Claudio; Siperstein, Flor R.; Lı́sal, Martin; Gubbins, Keith E.

doi:10.1080/0892702031000117135

Cited by 38 publications

(23 citation statements)

References 14 publications

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“…In the same figure, we make a comparison with the description obtained with the SAFT-VR Mie EoS, where it can be observed that the theory provides a good representation of both the experimental and simulation data. Our simulation results are also in good agreement with the values obtained with more sophisticated models: for example, Colina et al 95 have reported data for the volumetric properties and second-derivative properties using molecular simulation with the 2CLJQ model.…”

Section: Resultssupporting

confidence: 80%

SAFT-γ Force Field for the Simulation of Molecular Fluids. 1. A Single-Site Coarse Grained Model of Carbon Dioxide

et al. 2011

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An application of the "top-down" concept for the development of accurate coarse-grained intermolecular potentials of complex fluids is presented. With the more common "bottomup" procedure, coarse-grained models are constructed from a suitable simplification of a fulldetailed atomistic representation, and minor adjustments to the intermolecular parameters are made by comparison with limited experimental data where necessary. By contrast in the top-down approach, a molecular-based equation of state is used to obtain an effective coarsegrained intermolecular potential that reproduces the macroscopic experimental thermophysical properties over a wide range of conditions. These coarse-grained intermolecular potentials can then be used in a conventional molecular simulation to obtain properties (such as structure or dynamics) that are not directly accessible from the equation of state or at extreme conditions where the theory is expected to fail. In order to demonstrate our procedure, a coarse-

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Section: Resultssupporting

confidence: 80%

SAFT-γ Force Field for the Simulation of Molecular Fluids. 1. A Single-Site Coarse Grained Model of Carbon Dioxide

et al. 2011

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“…Available thermal data for pure carbon dioxide was used for the acid gas properties (Oldenburg, 2006;Colina et al, 2003). This should be a reasonable approximation since the acid gas mixture used for this location is 80 mol% CO 2 .…”

Section: Data For Joule-thomson Coolingmentioning

confidence: 99%

Analysis of potential acid gas leakage from wellbores in Alberta, Canada

LeNeveu¹

2011

International Journal of Greenhouse Gas Control

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“…The round-trip exergy efficiency of the real LHTES system in the CSP plant was analyzed as well. The round-trip exergy efficiency (w round ) was determined by the exergy recovered from the HTF during the discharging process (Ex HTF_dis ) as a fraction of the total exergy supplied by the HTF during the charging process (Ex HTF_char ), which is expressed as (Jegadheeswaran et al, 2010) Table 1 Thermophysical properties of supercritical CO 2 (Amooey, 2014;Colina et al, 2003;Heidaryan et al, 2011). …”

Section: Heat Transfer Simulations and Exergy Efficiency Analysesmentioning

confidence: 99%

“…According to the literature (Chapman and Arias, 2009), the solar field inlet pressure is around 200 bar for the s-CO 2 power cycle. Thus, the density of the s-CO 2 was estimated on the basis of this pressure (Colina et al, 2003). …”

Section: Graphite Foam-nacl Lhtes System For the Csp Plantmentioning

confidence: 99%

Analysis of a graphite foam–NaCl latent heat storage system for supercritical CO2 power cycles for concentrated solar power

Singh

et al. 2015

Solar Energy

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A latent heat thermal energy storage (LHTES) system that operates at high temperature was analyzed for applications to supercritical CO 2 (s-CO 2 ) power cycles for a concentrated solar power (CSP) plant. Because the operation temperature of the s-CO 2 power cycles is high (650-700°C), sodium chloride (NaCl), with a melting point of 800°C, was selected as the phase-change material (PCM) for energy storage. Due to the low thermal conductivity of salt materials (usually <1 W/m K), use of graphite foam was chosen to improve the overall thermal conductivity of the graphite foam-PCM combination. Three-dimensional (3-D) heat transfer simulations were conducted for the envisioned full-scale LHTES system. The anisotropic thermal conductivities of graphite foam were considered in the simulations. The thermal performance and the exergy efficiency were investigated for the full-scale LHTES system to study the improvements due to the graphite foam. The results show that this material improves the heat transfer performance in the LHTES system and, therefore, significantly reduces the total number of the heat transfer fluid (HTF) pipes needed in the storage system by a factor of 12 compared to a PCM-only system. Furthermore, the graphite foam helps to increase the exergy efficiency of the LHTES system considerably. The system parameter (i.e. HTF inlet temperature, flow velocity) effects on the thermal performance and exergy efficiency of the graphite foam-PCM LHTES system were analyzed in the paper. Moreover, the graphite foam-NaCl system matches the temperature requirements of the s-CO 2 power cycles for the CSP plant.

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Thermal Properties of Supercritical Carbon Dioxide by Monte Carlo Simulations

Cited by 38 publications

References 14 publications

SAFT-γ Force Field for the Simulation of Molecular Fluids. 1. A Single-Site Coarse Grained Model of Carbon Dioxide

SAFT-γ Force Field for the Simulation of Molecular Fluids. 1. A Single-Site Coarse Grained Model of Carbon Dioxide

Analysis of potential acid gas leakage from wellbores in Alberta, Canada

Analysis of a graphite foam–NaCl latent heat storage system for supercritical CO2 power cycles for concentrated solar power

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