The Phase Equilibrium Calculator (PEC) is an advanced web-based tool designed for determining phase equilibrium of multi-component mixtures. PEC boasts a user-friendlybUser Interface (UI) that simplifies the process for users, while also providing an Application Programming Interface (API) ideal for developers and researchers.
PEC is an open-source framework, and we welcome interested engineers, developers, and programmers to collaborate with us to augment and expand the current functionalities of the platform. If you have any queries regarding the software or have suggestions to offer, kindly reach out to us without any hesitation.
Thermodynamic References
Websites & Channels
Python serves as the foundation for this project, providing a powerful and versatile platform for executing complex calculations and numerical methods. Its simple and easy-to-learn syntax and extensive collection of open-source packages are utilized for all calculations and numerical methods within this software tool.
To ensure that you have the latest version of Python installed, we recommend checking this link for updates. During installation, be sure to enable the "Add to the path" option to ensure seamless integration with your existing system environment.
The following packages and libraries are used extensively in this project:
Other tools like SciPy, Seaborn, PyPlot, and ... were used for initial development but are not included in the final result.
The backend segment of this tool is where all data preparation and calculations occur. There are numerous programming languages and associated tools within backend development, such as PHP, Flask, NodeJS, and others. However, we implement the widely used Django framework for our back-end architecture.
The Django framework offers an uncomplicated and user-friendly development environment for our backend functionalities. For more detailed information on Django, we recommend visiting their website to explore the full range of features and benefits that the framework offers.
The frontend, also known as the user interface (UI), provides users with the means to interact with the website and receive the anticipated outputs. The webpages for this project are constructed and styled using vanilla HTML, CSS, and JavaScript.
Alternatively, developers may opt to integrate external packages and frameworks such as Angular and React to enhance the functionality and user experience of the frontend. These popular and efficient tools offer a range of benefits, including streamlined workflow, advanced features, and responsive design.
In addition to the UI of the website, developers and other users may interact with PEC through APIs (Application Programming Interfaces). APIs enable external software or websites to send requests to PEC and receive the outputs in JSON format. This facilitates the use of phase equilibrium calculations without the need to create the algorithms or design the application from scratch.
Using APIs, developers can integrate PEC with their own applications or software, providing enhanced functionality and optimizing workflow. This allows for more efficient and effective utilization of phase equilibrium calculations in various industries and applications.
More details about PEC API can be found in this section.
The textbook "Introduction to Chemical Engineering Thermodynamics" by Smith, Van Ness, and Abbott serves as the primary reference for Thermodynamics I and Thermodynamics II courses in the Chemical Engineering Department of Sharif University of Technology. This comprehensive and accessible book is designed to help engineers become familiar with the fundamental concepts of thermodynamics.
By mastering the core concepts presented in this textbook, students can then move on to more detailed and specialized resources to apply thermodynamics to specific use cases. The book provides a strong foundation for chemical engineers to understand the physical behavior of materials and chemical processes, and to apply thermodynamics to real-world engineering problems.
A detailed note of the different approaches to estimate gases and liquid's properties and behavior.
Focuses mainly on phase equilibrium and different techniques such as equations of satate (EoS) and models such as Gamma-Phi or Phi-Phi models to simulate the phase behavior of pure components alongside multi-component mixtures.
A great online source to find out necessary information and equations for VLE calculations. The methods introduced in this document are easy-to-implement and can be used in personal projects.
You can access this document from here.
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