Model for Penicillin G Acylase Reaction-Diffusion in a Batch Reactor

A theoretical and computational study analyzing heterogeneous reaction-diffusion processes for immobilised Penicillin G Acylase. The work includes a mathematical model with multiple inhibition mechanisms, analytical solutions for concentration profiles, and a sensitivity analysis. The author is L. Niyaz Ahmed, and the dataset was last updated on 2026-04-11.

Use Cases

• Modeling substrate and product concentration profiles based on the described partial differential equations.
• Analyzing catalytic efficiency using the mean integrated effectiveness factor (MIEF) metric.
• Conducting sensitivity analysis on parameters like the effective diffusion coefficient and kinetic constants.
• Simulating the impact of Thiele moduli on substrate consumption and product formation.
• Developing design guidelines for minimizing diffusion limitations in immobilized enzyme reactors.

Strengths

• The model incorporates multiple specific inhibition mechanisms: uncompetitive by Pen-G, competitive by PAA, and non-competitive by 6-APA.
• Sensitivity analysis quantifies parameter influence, showing the effective diffusion coefficient has a 100% normalized sensitivity.
• The dataset is licensed under CC-BY-4.0, allowing for open sharing and reuse.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• The primary file format is DOC, which may require conversion for computational analysis.

Provenance

Source

figshare, author L. Niyaz Ahmed.

Collection Method

Theoretical and computational modeling study.

Time Range

The study is theoretical; no specific temporal coverage for empirical data is indicated.

Freshness

Last updated 2026-04-11 20:09:56; freshness should be verified.

Geography

The study is theoretical; no specific geographic coverage is indicated.