Fast Finite-Volume Method for PSA/VSA Cycle SimulationExperimental Validation

Todd, Richard S.; He, Jianming; Webley, Paul A.; Beh, Christopher; Wilson, Simon; Lloyd, Matthew A.

doi:10.1021/ie0008070

Cited by 42 publications

(39 citation statements)

References 12 publications

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“…APGIII is a type of 13X zeolite, and the beads possess the same properties (such as heat transfer coefficient, mass transfer coefficient, heat capacity and so on) as 13X-APG. Therefore, the model parameters applied in this study is in accord with the previous works [23,33] in our group and experimental data. Suitable initial and boundary conditions are set to solve these equations.…”

Section: Process Simulationsupporting

confidence: 57%

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Effects of feed gas concentration, temperature and process parameters on vacuum swing adsorption performance for CO2 capture

Ling

Ntiamoah

Xiao

et al. 2015

Chemical Engineering Journal

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Section: Process Simulationsupporting

confidence: 57%

“…To understand the dynamic behaviour and profile of mass and heat transfer, our in-house numerical simulator MINSA [32,33] was used to simulate the cycles studied experimentally.…”

Section: Process Simulationmentioning

confidence: 99%

Effects of feed gas concentration, temperature and process parameters on vacuum swing adsorption performance for CO2 capture

Ling

Ntiamoah

Xiao

et al. 2015

Chemical Engineering Journal

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“…Pressure drop in the adsorption bed is calculated with Ergun equation. We have used our numerical simulator extensively over the past decade to evaluate air separation systems and help guide experiments (Todd et al 2001(Todd et al , 2006.…”

Section: Introductionmentioning

confidence: 99%

Capture of CO2 from flue gas streams with zeolite 13X by vacuum-pressure swing adsorption

et al. 2008

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Vacuum swing adsorption (VSA) capture of CO 2 from flue gas streams is a promising technology for greenhouse gas mitigation. In this study we use a detailed, validated numerical model of the CO2VSA process to study the effect of a range of operating and design parameters on the system performance. The adsorbent used is 13X and a feed stream of 12% CO 2 and dry air is used to mimic flue gas. Feed pressures of 1.2 bar are used to minimize flue gas compression. A 9-step cycle with two equalisations and a 12-step cycle including product purge were both used to understand the impact of several cycle changes on performance. The ultimate vacuum level used is one of the most important parameters in dictating CO 2 purity, recovery and power consumption. For vacuum levels of 4 kPa and lower, CO 2 purities of >90% are achievable with a recovery of greater than 70%. Both purity and recovery drop quickly as the vacuum level is raised to 10 kPa. Total power consumption decreases as the vacuum pressure is raised, as expected, but the recovery decreases even quicker leading to a net increase in the specific power. The specific power appears to minimize at a vacuum pressure of approximately 4 kPa for the operating conditions used in our study. In addition to the ultimate vacuum level, vacuum time and feed time are found to impact the results for differing reasons. Longer evacuation times (to the same pressure level) imply lower flow rates and less pressure drop providing improved performance. Longer feed times led to partial breakthrough of the CO 2 front and reduced recovery but improved purity. The starting pressure of evacuation (which is not necessarily equal to the feed pressure) was also found to be important since the gas phase was enriched in CO 2 prior to removal by vacuum leading to improved CO 2 purity. A 12-step cycle including product purge was able to produce high purity CO 2 (>95%) with minimal impact on recovery. Finally, it was found that for 13X, the optimal feed temperature was around 67°C to maximize system purity. This is a consequence of the temperature dependence of the working selectivity and working capacity of 13X. In summary, our numerical model indicates that there is considerable scope for improvement and use of the VSA process for CO 2 capture from flue gas streams.

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“…The use of the FVM in the discretisation of the fluid phase enables the use of successive node refinement as shown by Todd et al 12 Briefly, the simulation is started with a small number of nodes.…”

Section: Conservative Node Refinementmentioning

confidence: 99%

Efficient Simulation and Acceleration of Convergence for a Dual Piston Pressure Swing Adsorption System

Friedrich

Ferrari

Brandani

2013

Ind. Eng. Chem. Res.

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The Dual Piston Pressure Swing Adsorption (DP-PSA) system offers the potential for the full characterisation of adsorbent materials under a large range of experimental conditions. The analysis of these experiments requires an efficient tool for the simulation of the DP-PSA system to Cyclic Steady State (CSS). In this contribution a simulation tool is developed and applied to a mathematical model of the DP-PSA system. The governing set of Partial Differential Equations (PDEs) is solved with state-ofthe-art discretisation schemes, which are tailored to the character of the governing equations. PDEs with a strong hyperbolic character are discretised with the Finite Volume Method (FVM) with a fluxlimiting scheme; this guarantees the conservation of mass as well as correct tracking of the moving fronts. The mass transfer in the adsorbent materials is discretised with the orthogonal collocation on finite elements method which is a very efficient method for problems with steep, stationary gradients.The large system of Differential Algebraic Equations (DAEs) is solved with the state-of-the-art DAE solver SUNDIALS. Even with these sophisticated discretisation schemes, the computation times to reach CSS are long due to the non-linear system behaviour as well as the complex nature of the system. Several strategies to reduce the computation time are implemented: i) conservative node refinement:initial simulation with lower resolution discretisation; ii) implementation of numerical acceleration schemes, e.g. extrapolation method, which accelerate the convergence to CSS; iii) restart from previous 2 simulation runs. Each of the acceleration schemes reduces the required simulation time by at least a factor of 2 and the combination of the schemes accelerates the simulation by a factor of 10. Thus the combined simulation tool allows the rapid simulation of the DP-PSA system.

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Fast Finite-Volume Method for PSA/VSA Cycle SimulationExperimental Validation

Cited by 42 publications

References 12 publications

Effects of feed gas concentration, temperature and process parameters on vacuum swing adsorption performance for CO2 capture

Effects of feed gas concentration, temperature and process parameters on vacuum swing adsorption performance for CO2 capture

Capture of CO2 from flue gas streams with zeolite 13X by vacuum-pressure swing adsorption

Efficient Simulation and Acceleration of Convergence for a Dual Piston Pressure Swing Adsorption System

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