Modeling water vapor adsorption/desorption cycles

Hefti, Max; Mazzotti, Marco

doi:10.1007/s10450-013-9573-9

Cited by 29 publications

(38 citation statements)

References 17 publications

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“…Adsorption of water onto solid species is an interesting field of study itself and is essential for CO2 capture applications. The work by Hefti et al, [15][16][17][18] provides a very relevant body of knowledge. Water adsorption on Lewatit® VP OC 1065 follows a typical Type III isotherm, with hysteresis loops of Type H3, according to the IUPAC classification.…”

Section: H2o Isothermsmentioning

confidence: 99%

The impact of binary water-CO2 isotherm models on the optimal performance of sorbent-based direct air capture processes.

Young

García-Díez

García

et al. 2021

Preprint

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Direct air capture (DAC) is an auspicious technology in pursuing negative CO2 emissions. A promising process is temperature vacuum swing adsorption (TVSA) employing amine functionalised adsorbents such as Lewatit® VP OC 1065, which is selected as a benchmark sorbent in this study. To further improve process design, and critically lower costs, detailed modelling of DAC cycles is imperative. However, the multi-component adsorption on these materials, particularly the cooperative adsorption of CO2 and H2O, is crudely understood, and yet to be described in mathematical terms, prohibiting sound modelling efforts. Here, we commit in-depth understanding of the effect of humidity on CO2 adsorption and demonstrate how this impacts modelling of DAC cycles. We present two novel mechanistic co-adsorption isotherm models to describe water's effect on CO2 adsorption and find a good fit to original experimental co-adsorption data. We also show the considerable improvement in predictions of these models when compared to an empirical co-adsorption isotherm model from literature. A detailed TVSA DAC cycle process model is then used elucidating how different coadsorption models affect the predicted process performance. It is found that the two novel isotherm models generate similar results and Pareto fronts, whilst the minimum work equivalent calculated using the more conservative of the two models is found to be 2.49 MJ kg -1 for the case study considered.These mathematical descriptions laid out will lead to more accurate modelling and optimisation of cyclic DAC adsorption processes, prompting a greater understanding of the material-process combinations ideal for DAC and how costs can be driven down in the years to come. Importantly, they allowed us to independently benchmark a Climeworks type DAC process, providing key DAC performance data to the public domain.

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Section: H2o Isothermsmentioning

confidence: 99%

The impact of binary water-CO2 isotherm models on the optimal performance of sorbent-based direct air capture processes.

Young

García-Díez

García

et al. 2021

Preprint

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“…Brunauer et al The models formulated by Rajniak et al [60] and Liu et al [54] have been used for the simulation of pressure swing adsorption processes in packed beds for water vapor removal [62][63][64][65]. Therefore, such models are probably considered the most appropriate analytical expressions for the correlation of type IV isotherms.…”

Section: Ref Model Expressionmentioning

confidence: 99%

Molecular simulation and experiments of water adsorption in a high surface area activated carbon: Hysteresis, scanning curves and spatial organization of water clusters

Sarkisov

Centineo

Brandani

2017

Carbon

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“…The adsorption/desorption isotherm of H2O usually exhibits hysteresis caused by capillary condensation/evaporation. Determining adsorption/desorption branches can be done in several ways according to the adsorption/desorption history (Hefti and Mazzotti, 2014…”

Section: Co2mentioning

confidence: 99%

Desorption characteristics of H2O and CO2 from alumina F200 under different feed/purge pressure ratios and regeneration temperatures

et al. 2017

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Air pre-purification is an important process for industrial air separation with cryogenic distillation method. This process is typically realized by pressure swing adsorption or temperature swing adsorption. H2O and CO2 are the two major components to be removed among the contaminants. In this paper, we establish a mathematical model describing the mass and heat balances in the adsorption bed, and the double-component adsorption/desorption equilibriums of H2O/CO2 on alumina F200. To conduct desorption performance analysis, a one-cycle process consisting of feed, blowdown, and purge step under different operating conditions, such as feed/purge pressure ratio and regeneration temperature, is numerically studied. The effect of heat on the desorption performance of H2O and CO2 is investigated by changing the purge gas temperature within 30 °C to 200 °C under feed/purge pressure ratios of 6:1.1 and 10:1.1, respectively. Detailed results of the H2O and CO2 adsorption/desorption behaviors in the bed are demonstrated. The mass and heat transfer characteristics during desorption are also analyzed. Suggestions on the optimization of the heating temperature and duration of purge gas are also proposed.

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Modeling water vapor adsorption/desorption cycles

Cited by 29 publications

References 17 publications

The impact of binary water-CO2 isotherm models on the optimal performance of sorbent-based direct air capture processes.

The impact of binary water-CO2 isotherm models on the optimal performance of sorbent-based direct air capture processes.

Molecular simulation and experiments of water adsorption in a high surface area activated carbon: Hysteresis, scanning curves and spatial organization of water clusters

Desorption characteristics of H2O and CO2 from alumina F200 under different feed/purge pressure ratios and regeneration temperatures

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