ChemGraph (Old Version - KNIME Based)

Introduction

ChemGraph is one of the most basic projects I have ever created as a web-based process flow diagram (PFD) simulator. Initially, I wanted to develop a "Microfluidics 2D design chip simulator" because I found very little research available on the topic. However, after extensive research, I discovered one project (which I didn't use much, so I won’t mention it here).

Later, I joined a team for a Green Energy Hackathon, where we brainstormed different ideas. I proposed creating a Weizmann process simulator (for IBE and ABE processes). This led me to develop an improved version of the idea, which I then coded into a working simulator.

I had prior experience with KNIME and some exposure to ASPEN HYSYS (though not extensively). Since I was more comfortable with KNIME, I used its notation to create process flow diagrams. However, I made several mistakes during development, which I will discuss in the Mistakes section.

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Why Did I Create It?

I am a strong supporter of open-source software and believe that information should be freely available.

ASPEN HYSYS is a powerful professional tool used for designing and simulating industrial plants from scratch. However, it is very expensive, making it inaccessible for most students. While open-source alternatives exist, ASPEN remains the industry leader. I understand why they charge a premium, but I still believe that open-source alternatives should be available.

By developing ChemGraph, I aimed to contribute to the open-source community. The project is completely free to use, reference, and mention. Although recognition is not necessary, I appreciate it when people respect the effort behind open-source projects.

(However, it’s worth noting that Uni42 Technology, our main company, follows an "all rights reserved" approach.)

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Mistakes I Made

During the development of ChemGraph, I made several mistakes:

1. Lack of Competitor Research:

   • I didn’t properly research existing competitors or similar projects before starting.

2. Diagram Symbol Rights (ISO Standards):

   • I overlooked standard process diagram symbols supported by ISO regulations.

3. SFILES Notation:

   • I didn’t initially consider SFILES notation, which is superior to KNIME notation for applying graph theory to complex process diagrams.

4. Missing Features:

   • I failed to integrate a console, menu bar, and page navigation system, which made the simulator less user-friendly.

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The New Version

After extensive research and learning from my mistakes, I started developing a new and improved version of ChemGraph. This version incorporates:

• Mathematical calculations for improved accuracy
• Modern notations for better process representation
• SFILES notation, which offers better graph theory integration for complex diagrams

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Vibe Coding: My Experience

For this project, I used "vibe coding" (an intuitive, rapid development approach) to build both the frontend and Django backend. Since I wasn’t very experienced with Django at the time (I had only built 4-5 small projects), this method saved me a lot of time.

However, I am no longer in favor of vibe coding. The main issues I faced were:

• Difficult maintenance: Fixing bugs became increasingly complicated.
• Scalability issues: Implementing new features became a challenge.
• Limited flexibility: I couldn't fully apply my ideas without rewriting large parts of the code.

For the new version, I will rely on my own coding knowledge instead of vibe coding. This will not only improve the project but also help me grow as a developer.