Development of Design Space for Reaction Steps

Tummala, Srinivas; Ramı́rez, Antonio; Srivastava, Shalini; Hallow, Daniel M.

doi:10.1002/9781119600800.ch50

Cited by 2 publications

(2 citation statements)

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“…Flow reactors can usually operate at higher concentrations provided the reagents remain in solution: an advantage in the current scenario for using a concentrated precursor mixture to increase productivity while maintaining similar yields. 43,44 HCl content by 10%, 40%, and 60% and CH 3 OH by 25% and 50%. Interestingly, the solvent composition used in batch synthesis (labeled "Batch Optimized" in Figure 2b) resulted in amorphous residue in flow synthesis.…”

Section: ■ Results and Discussionmentioning

confidence: 97%

“…Flow reactors can usually operate at higher concentrations provided the reagents remain in solution: an advantage in the current scenario for using a concentrated precursor mixture to increase productivity while maintaining similar yields. 43,44 °C with a residence time of 60 min. Solvent composition was optimized starting from the recipe used in batch (1:1:0.64 volumetric ratio for DMF, CH 3 OH, and HCl) and lowering HCl content by 10%, 40%, and 60% and CH 3 OH by 25% and 50%.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

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Accelerated Synthesis of a Ni₂Cl₂(BTDD) Metal–Organic Framework in a Continuous Flow Reactor for Atmospheric Water Capture

Bagi

Wright

Dincă

et al. 2021

ACS Sustainable Chem. Eng.

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Atmospheric water capture (AWC) has tremendous potential to address the global shortage of clean drinking water. The Ni 2 Cl 2 (BTDD) metal−organic framework (MOF) has shown optimal water sorption performance under low relative humidity conditions, but its potentially high production costs, stemming in part from its lengthy multiday synthesis, has hindered widespread implementation. As with most traditional MOF syntheses, the original synthesis of Ni 2 Cl 2 (BTDD) involves batch reactors that have intrinsic inefficiencies impacting productivity during scale-up. We report a continuous manufacturing process for Ni 2 Cl 2 (BTDD) that can achieve higher yields, reduced solvent use, and drastically faster crystallization times in comparison to the batch process. Optimization of the synthesis space in the flow reactor as a function of residence time, temperature, and solvent volume yields 50% and 40% reductions in methanol and hydrochloric acid consumption by volume, respectively, with a simultaneous 3-fold increase in productivity (defined in units of kg MOF m −3 day −1 ). A computational fluid dynamics (CFD) model was developed to quantitate productivity enhancements in the flow reactor based on improved heat-transfer rates, larger surface-area to volume ratios, and effective residence times. This work adds critical facets to the growing body of research suggesting that the synthesis of MOFs in flow reactors offers unique opportunities to reduce production costs.

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Section: ■ Results and Discussionmentioning

confidence: 97%

“…Flow reactors can usually operate at higher concentrations provided the reagents remain in solution: an advantage in the current scenario for using a concentrated precursor mixture to increase productivity while maintaining similar yields. 43,44 °C with a residence time of 60 min. Solvent composition was optimized starting from the recipe used in batch (1:1:0.64 volumetric ratio for DMF, CH 3 OH, and HCl) and lowering HCl content by 10%, 40%, and 60% and CH 3 OH by 25% and 50%.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

Accelerated Synthesis of a Ni₂Cl₂(BTDD) Metal–Organic Framework in a Continuous Flow Reactor for Atmospheric Water Capture

Bagi

Wright

Dincă

et al. 2021

ACS Sustainable Chem. Eng.

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A continuous flow chemistry approach for the ultrafast and low-cost synthesis of MOF-808

et al. 2021

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Development of Design Space for Reaction Steps

Cited by 2 publications

References 19 publications

Accelerated Synthesis of a Ni₂Cl₂(BTDD) Metal–Organic Framework in a Continuous Flow Reactor for Atmospheric Water Capture

Accelerated Synthesis of a Ni₂Cl₂(BTDD) Metal–Organic Framework in a Continuous Flow Reactor for Atmospheric Water Capture

A continuous flow chemistry approach for the ultrafast and low-cost synthesis of MOF-808

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Development of Design Space for Reaction Steps

Cited by 2 publications

References 19 publications

Accelerated Synthesis of a Ni2Cl2(BTDD) Metal–Organic Framework in a Continuous Flow Reactor for Atmospheric Water Capture

Accelerated Synthesis of a Ni2Cl2(BTDD) Metal–Organic Framework in a Continuous Flow Reactor for Atmospheric Water Capture

A continuous flow chemistry approach for the ultrafast and low-cost synthesis of MOF-808

Contact Info

Product

Resources

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Accelerated Synthesis of a Ni₂Cl₂(BTDD) Metal–Organic Framework in a Continuous Flow Reactor for Atmospheric Water Capture

Accelerated Synthesis of a Ni₂Cl₂(BTDD) Metal–Organic Framework in a Continuous Flow Reactor for Atmospheric Water Capture