🚀 SFPPy - Python Framework for Food Contact Compliance & Risk Assessment 🍏⏩🍎

SFPPy v1.3 Releases 🍏⏩🍎

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About SFPPy

SFPPy is a Python-based framework for 𓌉◯𓇋 compliance testing of food contact materials and 🎢⌬♻️ recycled plastic safety assessment. It supports regulations from:

• 🇺🇸 US FDA regulations
• 🇪🇺 European Union (EFSA, EU 10/2011, etc.)
• 🇨🇳 Chinese GB standards
• 🌍 Other international guidelines

📌 SFPPy integrates well-established chemical migration models into Python, offering object-oriented and scalable capabilities. It includes a comprehensive collection of scenarios 🗃 for various applications.

🔔 Starting from version 1.3, the computational engine ⚙️ automatically selects the best model 🤔 to predict 🪄 diffusivities and partitioning from molecular structures ⌬.

Diffusivity in polymer ($D$) 🏎️💨, 🚗💨🛻💨🚛💨	Henry-like coefficients ($k$): Chemical affinity 🧲
📌 Dpiringer - Legacy overestimation model (many polymers🖇, temperature effects🌡️)	📌 kFH - Flory-Huggins model for polymers and adhesives (many polymers 🖇)
📌 DFV - Hole Free-Volume model = Accurate for recycled plastics ♻️ and decontamination processes 💦	📌 kFH - Flory-Huggins model for food simulants🥫 with entropic correction
📌 Dwelle - Refined model for PET and PS above and below $T_g$	📌 Combined rules considering texture effects 🍯

🚀 No Python Knowledge? No Problem! 🧑‍🔬👩‍🔬 SFPPy is designed for scientists, engineers, and food packaging experts without programming experience. You can simulate mass transfer or analyze results using 🔹 simple commands and 🔹 pre-built functions that handle complex calculations internally.

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📦 Download & Installation

SFPPy is available in two versions 🗜️ ┊ Compatible with 🪟 Windows, 🐧 Linux, 🍎 macOS.

The light version does not include the private installation of Toxtree, which is used in patankar.loadpubchem.migrantToxtree for advanced risk assessment. However, patankar.loadpubchem.migrant remains fully functional for routine simulations.

If needed, Toxtree can be manually installed in patankar/private/toxtree/ as described in patankar/private/toxtree/README.md.

• Full version 80 MB 𓋰 Includes: 🧪 Toxtree ⁺₊ 📚 Full documentation
  📥 Download SFPPy

• Light version 17 MB 𓋰 Includes: ⁺₊ 📚 Full documentation
  📥 Download SFPPymin

❗ Toxtree requires a Java runtime environment (JRE) if Java ☕ is not already installed.

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📂 Example Files

SFPPy includes four example scripts to help you get started:

Example file (located in the root folder 🏠)	Description (see 🔍 Wiki Pages)
example1.py	Monolayer materials
example2.py	Recycled bottles with functional barriers
example3.py	Chained simulations with variations
example4.py	Fitting experimental curves to extract diffusion and partition coefficients

✨ All scripts in the root folder 🏠 can be executed directly without modifying the Python path.
If running from another location, use the CLI:

sfppy example1.py  # Replace example1.py with your script

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🛠️ Running SFPPy from Anywhere 🌐

To test releases effortlessly:

# Navigate to the extracted SFPPy folder
cd /path/to/SFPPy  # 🏠 Unzipped folder

# Install SFPPy in editable mode (dependencies included)
pip install -e .

# Run example1 from anywhere
sfppy example1.py  # Replace example1.py with your script

For detailed installation instructions, refer to the installation guide 🧑‍🔧.

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🚀 Quick Start & Exploration

📚 Read the Online Documentation:

• 📖 SFPPy Documentation
• 📚 SFPPy Wiki Pages
• 📑 Migration Modeling Guide
• 🎓 FitNESS E-learning Platform (Details)

🚀 Try SFPPy now and streamline your food safety assessments!

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🔗 Additional Resources

📖 Publication:
AIChE Journal - SFPPy Migration Modeling

📌 GitHub Pages:
https://ovitrac.github.io/SFPPy/

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🍏⏩🍎 SFPPy for Food Contact Compliance and Risk Assessment
*Contact* Olivier Vitrac *for questions |* Website *|* Documentation