Abstract. Resazurin (Raz) and its reaction product resorufin (Rru) have increasingly been used as reactive tracers to quantify metabolic activity and hyporheic exchange in streams. Previous work has indicated that these compounds undergo sorption in stream sediments. We present laboratory experiments on Raz and Rru transport, sorption, and transformation, consisting of 4 column and 72 batch tests using 2 sediments with different physicochemical properties under neutral (pH = 7) and alkaline (pH = 9) conditions. The study aimed at identifying the key processes of reactive transport of Raz and Rru in streambed sediments and the experimental setup best suited for their determination. Data from column experiments were simulated by a travel-time-based model accounting for physical transport, equilibrium and kinetic sorption, and three first-order reactions. We derived the travel-time distributions directly from the breakthrough curve (BTC) of the conservative tracer, fluorescein, rather than from fitting an advective-dispersive transport model, and inferred from those distributions the transfer functions of Raz and Rru, which provided conclusive approximations of the measured BTCs. The most likely reactive transport parameters and their uncertainty were determined by a Markov chain–Monte Carlo approach. Sorption isotherms of both compounds were obtained from batch experiments. We found that kinetic sorption dominates sorption of both Raz and Rru, with characteristic timescales of sorption in the order of 12 to 298 min. Linear sorption models for both Raz and Rru appeared adequate for concentrations that are typically applied in field tracer tests. The proposed two-site sorption model helps to interpret transient tracer tests using the Raz–Rru system.
Mathematical Modelling of Reactive Inks for Additive Manufacturing of Charged Membranes
Patterned charged membranes with engendered useful characteristics can offer selective transport of electrolytes. Chemical patterning across the membrane surface via a physical inkjet deposition process requires precise control of the reactive-ink formulation, which enables the introduction of charged functionality to the membrane. This study develops a new dynamic mathematical model for the primary step of the batch reactive-ink formulation considering an ink mixture of copper sulphate and ascorbic acid. Nonlinear least squares parameter estimation is performed to infer three kinetic model parameters by analysing data from nine dynamic experiments simultaneously. Global sensitivity and Fisher information matrix (FIM) analyses reveal only one kinetic parameter is identifiable from time-series pH measurements. The fitted model can capture the overall nonlinear dynamics of the batch reaction and works best for initial Cu2 + concentrations between 30 and 50 mM. Time-series Cu2 + or Cu+ concentration measurements are recommended in future experiments to elucidate the kinetics of reactive-ink formulation.
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- Award ID(s):
- 1941596
- NSF-PAR ID:
- 10403699
- Editor(s):
- Yamashita, Y.; Kano, M.
- Date Published:
- Journal Name:
- Computer aided chemical engineering
- Volume:
- 49
- ISSN:
- 2543-1331
- Page Range / eLocation ID:
- 1063-1068
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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