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Nonlocal modeling of continuously stirred tank reactors with residence time distribution

  • J. Alberto Ochoa-Tapia EMAIL logo und Jose Alvarez-Ramirez
Veröffentlicht/Copyright: 6. Dezember 2024

Abstract

The residence time distribution (RTD) has an important impact in the performance of chemical reacting systems. The segregated fluid assumption is commonly used to assess the analysis and design of chemical reactors. Models derived from the segregated fluid assumption for continuously stirred tank reactors (CSTR) rely on batch reactor models. A drawback of such assumption is that the CSTR model structure is not recovered in the limit when the RTD becomes very narrow (e.g., a Dirac delta). The aim of the present work is to propose a nonlocal modeling approach that is consistent with the CSTR model structure. The main idea is to represent the reactor as a continuum of tiny differential CSTRs determined by the RTD. The resulting nonlocal model is expressed as integrodifferential equations representing the interaction of reactive molecules of a given residence time with molecules of all residence times. By doing this, the nonlocal model is reduced to the usual CSTR model in the limit when the RTD is very narrow. The methodology was illustrated with three worked cases of dimerization, autocatalytic and series reaction schemes, and the results were compared with that obtained with the segregated fluid assumption. It was found that nonlocal models predict lower conversions than the segregated fluid models.


Corresponding author: J. Alberto Ochoa-Tapia, Departamento de Ingeniería de Procesos e Hidráulica, Universidad Autónoma Metropolitana-Iztapalapa, Apartado Postal 55-534, Iztapalapa, CDMX, 09340 México, E-mail:

  1. Research ethics: Not applicable.

  2. Informed consent: Not applicable.

  3. Author contributions: J.A. Ochoa-Tapia: Conceptualization; research; original draft writing. J. Alvarez-Ramirez: Research. The authors have accepted responsibility for the entire content of this manuscript and approved its submission.

  4. Use of Large Language Models, AI and Machine Learning Tools: None declared.

  5. Conflict of interest: The authors state no conflict of interest.

  6. Research funding: None declared.

  7. Data availability: The raw data can be obtained on request from the corresponding author.

Symbols

C

Concentration

E ( τ )

Residence time distribution

k

Reaction rate constant

r ( C )

Reaction rate

Greek

τ

Residence time

τ m

Mean residence time

Acronyms

CSTR

Continuously stirred tank reactor

LM

Local model

NLM

Nonlocal model

RTD

Residence time distribution

SFM

Segregated fluid model

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Received: 2024-07-26
Accepted: 2024-11-14
Published Online: 2024-12-06

© 2024 Walter de Gruyter GmbH, Berlin/Boston

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