Chemical Code a blog about simulation and programming

Process Simulation in the Cloud: Opportunity or a Castle in the Air?

Introduction Recently the DECHEMA e.V. published the position paper Process Simulation – Fit for the future?. This document was written by the ProcessNet working committee Process Simulation, Process Synthesis and Knowledge Processing (part of the larger PAAT community), of which I am a member of. This group presents a cross-section of the Germ... Read more

The world was grey all along? My Blackbox-vs-WhiteBox article revisited

Introduction Roughly a year ago, I wrote a rather technical article about black-box vs. white-box models in process simulation which ended on the notion that process simulators should start including machine-learning models in their repertoire of tools. In this article I expand on the idea and talk about some practical examples. Time for a hot... Read more

Pyflowsheet - Part 2: Clean Code and Refactoring

So now that a week has passed between the initial release of the pyflowsheet package has passed, maybe it is time to reflect on the code. In my opinion, it is the duty of the software developer, to deliver the best possible code that he or she is able to create. Does this mean that the pyflowsheet code is already good? Of course not! Nobody get... Read more

Pyflowsheet - Part 1: Initial Release

With a few days of quiet before christmas I began working on a new open-source project. Unlike my other projects, this is not focused on process simulation (but still related to process engineering). Initially I only wanted to test out how publishing Python packages on PyPI works, but after discussions with my colleagues I understood that the pr... Read more