Roles of double salt formation and NaNO3 in Na2CO3-promoted MgO absorbent for intermediate temperature CO2 removal

Zhang, Keling; Li, Xiaohong S.; Duan, Yuhua; King, David L.; Singh, Prabhakar P.; Li, Liyu

doi:10.1016/j.ijggc.2012.11.013

Cited by 109 publications

(102 citation statements)

References 11 publications

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“…For example, when Na 2 CO 3 doped into MgO, the CO 2 capacity of the newly formed sorbent is 1-7 mmol CO 2 /g depending on the temperature and dopant loading (Mayorga et al, 2001). We did a further investigation on Na 2 CO 3 -promoted MgO sorbent and found that by forming Na 2 Mg(CO 3 ) 2 double salt its operating temperature is increased to about 673 K which is compatible with warm gas cleanup (573-773 K) from a pre-combustion syngas (Zhang et al, 2013). A similar double salt Cs 2 Mg(CO 3 ) 2 was also observed in the Cs promoted triglyceride transesterification over MgO nanocatalysts (Montero et al, 2010).…”

Section: Introductionmentioning

confidence: 60%

“…To minimize the energy consumption, the ideal sorbents should work in these pressure and temperature ranges to separate CO 2 from H 2 . The separated H 2 can be used for fuel cell power production or for IGCC applications (Zhang et al, 2013). We define T 1 for each reaction to be the temperature at which the Δµ(P, T) = 0 curve crosses the P CO 2 = 10 bar line in Fig.…”

Section: Application To Pre-and Post-combustion Co 2 Capture Technolomentioning

confidence: 99%

“…Having high reactivity with CO 2 , CaO can be used as a CO 2 sorbent in post-combustion technology as it can capture CO 2 with a carbonation/ calcination looping cycle at high temperature (Yang et al, 2010), while MgO can be used in pre-combustion CO 2 capture technology (Hassanzadeh and Abbasian, 2010;Abbasi et al, 2013). However, although its theoretical CO 2 capture capacity (109 wt%) is very high, practically, the unmodified MgO has a very low CO 2 capacity of 0.24 mmol/g at 473 K (Zhang et al, 2013). Improving its practical CO 2 capacity is the key issue in order to use MgO as CO 2 sorbent.…”

Section: Introductionmentioning

confidence: 99%

“…Improving its practical CO 2 capacity is the key issue in order to use MgO as CO 2 sorbent. Recent studies showed that when MgO was doped with alkali and alkaline metal carbonates, its CO 2 capture capacity increased and its maximum absorption temperature could be shifted (Mayorga et al, 2001;Lee et al, 2008;Montero et al, 2010;Zhang et al, 2013). For example, when Na 2 CO 3 doped into MgO, the CO 2 capacity of the newly formed sorbent is 1-7 mmol CO 2 /g depending on the temperature and dopant loading (Mayorga et al, 2001).…”

Section: Introductionmentioning

confidence: 99%

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ab initio Thermodynamic Study of the CO2 Capture Properties of M2CO3 (M = Na, K)- and CaCO3-Promoted MgO Sorbents Towards Forming Double Salts

Duan

Zhang

et al. 2014

Aerosol Air Qual. Res.

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The CO 2 capture properties of M 2 CO 3 (M = Na, K)-promoted and CaCO 3 -promoted MgO sorbents are investigated by first-principles density functional theory complemented with lattice phonon calculations. The calculated thermodynamic properties indicate that by forming double salts (M 2 Mg(CO 3 ) 2 and CaMg(CO 3 ) 2 ), compared to pure MgO, the maximum allowable CO 2 capture temperatures of the M 2 CO 3 -and CaCO 3 -modified MgO sorbents are shifted to higher temperature ranges. Under pre-combustion conditions with P CO 2 = 10 bar, the Na 2 CO 3 -promoted and CaCO 3 -promoted MgO sorbents can capture CO 2 at temperatures as high as 915 K and 740 K respectively. While under post-combustion conditions with P CO 2 = 0.1 bar, their maximum allowable CO 2 capture temperatures are 710 K and 600 K respectively. However, when adding K 2 CO 3 into MgO, under both pre-and post-combustion conditions, its maximum CO 2 capture temperatures only increased about 10 K relative to pure MgO. These results indicate that by mixing another solid into MgO, it is possible to shift its CO 2 capture temperature to fit practical industrial needs.

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Section: Introductionmentioning

confidence: 60%

Section: Application To Pre-and Post-combustion Co 2 Capture Technolomentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

ab initio Thermodynamic Study of the CO2 Capture Properties of M2CO3 (M = Na, K)- and CaCO3-Promoted MgO Sorbents Towards Forming Double Salts

Duan

Zhang

et al. 2014

Aerosol Air Qual. Res.

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“…clean up technology and its practical CO 2 capacity is very low. Therefore, pure MgO cannot be used directly as a CO 2 sorbent in such capture technology (Zhang et al, 2013Chi et al, 2014). Figure 4 shows an example of mixing Na 2 O (or Na 2 CO 3 ) with MgO to move the G(T, P) = 0 curve of MgO (red line in Figure 4) to a higher temperature range (green line in Figure 4).…”

Section: T a >>T B And The A Component Is Key To Capturing Comentioning

confidence: 99%

Ab initio thermodynamic approach to identify mixed solid sorbents for CO2 capture technology

Duan

2015

Front. Environ. Sci.

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Citation:Duan Y (2015) Ab initio thermodynamic approach to identify mixed solid sorbents for CO 2 capture technology. Front. Environ. Sci. 3:69. doi: 10.3389/fenvs.2015.00069 Ab Because the current technologies for capturing CO 2 are still too energy intensive, new materials must be developed that can capture CO 2 reversibly with acceptable energy costs. At a given CO 2 pressure, the turnover temperature (T t ) of the reaction of an individual solid that can capture CO 2 is fixed. Such T t may be outside the operating temperature range ( T o ) for a practical capture technology. To adjust T t to fit the practical T o , in this study, three scenarios of mixing schemes are explored by combining thermodynamic database mining with first principles density functional theory (DFT) and phonon lattice dynamics calculations. Our calculated results demonstrate that by mixing different types of solids, it's possible to shift T t to the range of practical operating temperature conditions. According to the requirements imposed by the pre-and post-combustion technologies and based on our calculated thermodynamic properties for the CO 2 capture reactions by the mixed solids of interest, we were able to identify the mixing ratios of two or more solids to form new sorbent materials for which lower capture energy costs are expected at the desired pressure and temperature conditions.

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Unravelling the Mechanism of Intermediate‐Temperature CO₂ Interaction with Molten‐NaNO₃‐Salt‐Promoted MgO

et al. 2021

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The optimization of MgO‐based adsorbents as advanced CO2‐capture materials is predominantly focused on their molten‐salt modification, for which theoretical and experimental contributions provide great insights for their high CO2‐capture performance. The underlying mechanism of the promotion effect of the molten salt on CO2 capture, however, is a topic of controversy. Herein, advanced experimental characterization techniques, including in situ environmental transmission electron microscopy (eTEM) and CO2 chemisorption by diffuse‐reflectance infrared Fourier transform spectroscopy (DRIFTS), transient 18O‐isotopic exchange, and density functional theory (DFT), are employed to elucidate the mechanism of the CO2 interaction with molten‐salt‐modified MgO in the 250–400 °C range. Herein, eTEM studies using low (2–3 mbar) and high (700 mbar) CO2 pressures illustrate the dynamic evolution of the molten NaNO3 salt promoted and unpromoted MgO carbonation with high magnification (<50 nm). The formation of 18O‐NaNO3 (use of 18O2) and C16O18O following CO2 interaction, verifies the proposed reaction path: conversion of NO3− (NO3− → NO2+ + O2–), adsorption of NO2+ on MgO with significant weakening of CO2 adsorption strength, and formation of [Mg2+… O2−] ion pairs preventing the development of an impermeable MgCO3 shell, which largely increases the rate of bulk MgO carbonation.

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Roles of double salt formation and NaNO3 in Na2CO3-promoted MgO absorbent for intermediate temperature CO2 removal

Cited by 109 publications

References 11 publications

ab initio Thermodynamic Study of the CO2 Capture Properties of M2CO3 (M = Na, K)- and CaCO3-Promoted MgO Sorbents Towards Forming Double Salts

ab initio Thermodynamic Study of the CO2 Capture Properties of M2CO3 (M = Na, K)- and CaCO3-Promoted MgO Sorbents Towards Forming Double Salts

Ab initio thermodynamic approach to identify mixed solid sorbents for CO2 capture technology

Unravelling the Mechanism of Intermediate‐Temperature CO₂ Interaction with Molten‐NaNO₃‐Salt‐Promoted MgO

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Roles of double salt formation and NaNO3 in Na2CO3-promoted MgO absorbent for intermediate temperature CO2 removal

Cited by 109 publications

References 11 publications

ab initio Thermodynamic Study of the CO2 Capture Properties of M2CO3 (M = Na, K)- and CaCO3-Promoted MgO Sorbents Towards Forming Double Salts

ab initio Thermodynamic Study of the CO2 Capture Properties of M2CO3 (M = Na, K)- and CaCO3-Promoted MgO Sorbents Towards Forming Double Salts

Ab initio thermodynamic approach to identify mixed solid sorbents for CO2 capture technology

Unravelling the Mechanism of Intermediate‐Temperature CO2 Interaction with Molten‐NaNO3‐Salt‐Promoted MgO

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Unravelling the Mechanism of Intermediate‐Temperature CO₂ Interaction with Molten‐NaNO₃‐Salt‐Promoted MgO