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Catalysis02:50

Catalysis

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The presence of a catalyst affects the rate of a chemical reaction. A catalyst is a substance that can increase the reaction rate without being consumed during the process. A basic comprehension of a catalysts’ role during chemical reactions can be understood from the concept of reaction mechanisms and energy diagrams.
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Hydrogen Production and Utilization in a Membrane Reactor
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Hydrogen Production and Utilization in a Membrane Reactor

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A computational model for the catalytic hydrogel membrane reactor.

Nicholas Zak1, Randal Marks1, Patricia Perez-Calleja1

  • 1University of Notre Dame, Department of Civil and Environmental Engineering and Earth Sciences, 156 Fitzpatrick Hall, 46556 Notre Dame, IN, USA.

Water Research
|July 30, 2020
PubMed
Summary

A computational model optimized catalytic hydrogel membrane reactors (CHMRs) for removing nitrite from drinking water. Optimal hydrogel thickness (30-150 μm) balances reactant flux and catalyst loading for efficient contaminant removal.

Keywords:
AQUASIMCHMRCatalystHydrogelHydrogenation

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Area of Science:

  • Environmental Engineering
  • Chemical Engineering
  • Water Treatment Technologies

Background:

  • Catalytic hydrogel membrane reactors (CHMRs) offer advantages for water hydrogenation, including immobilized nano-catalysts and controlled hydrogen supply.
  • Conventional three-phase reactors face limitations in efficiency and control compared to CHMRs.

Purpose of the Study:

  • To develop and calibrate a computational model for a nitrite-reducing CHMR using palladium nano-catalysts.
  • To identify key operational factors influencing CHMR performance, such as hydrogel properties and reactant concentrations.

Main Methods:

  • Developed a computational model using AQUASIM software.
  • Calibrated the model with 32 experimental datasets for a nitrite-reducing CHMR.
  • Investigated the impact of hydrogel catalyst density, hydrogen pressure, nitrite concentrations, and hydrogel thickness.

Main Results:

  • Determined reaction rate constants (k1 = 0.0039 m³ mole-Pd⁻¹ s⁻¹, k2 = 0.027 (mole-H₂ m³)¹/² mole-Pd⁻¹ s⁻¹) for the nitrite steady-state adsorption Hinshelwood reaction.
  • Identified hydrogel thickness as a critical factor, with optimal performance between 30 and 150 μm.
  • Demonstrated that counter-diffusional transport limits reactant flux in thicker hydrogels.

Conclusions:

  • The developed computational model is the first to describe CHMR behavior and is crucial for optimizing reactor design.
  • Hydrogel thickness significantly impacts nitrite removal efficiency by influencing reactant concentrations and mass transport.
  • The model can be adapted for other contaminants, catalysts, and interfacial catalytic membrane reactors.