Development of software is closely related to our research projects. As a majority of the research projects deal with the use of computers to solve process/product engineering problems, the theories and algorithms developed in the research projects are validated through computer programmes. Those computer programmes that have a general appeal with respect to their application and have no restrictions on their use by KT CONSORTIUM member companies are collected and made accessible through this site. Some software is not commercial and is distributed exclusively only to KT CONSORTIUM member companies. However, a special version is distributed at a nominal price for educational purposes.
Overview of current software
With the software we wish to promote the use of computer aided methods and tools that can solve current and future process/product engineering problems. Our software consists of the following:
Property models modules
- Pure component estimation using revised parameters and uncertainty estimates via ProPred tool
- Mixture evaluation (UNIFAC-CI parameters for Original UNIFAC and Dortmund UNIFAC; uncertainty estimates; filled parameter tables; call of Dortmund UNIAFC)
- Routines for different equations of state (i.e. CPA; PC-SAFT) that can be implemented in third party software.
- ProCAMD – Design/selection of compounds (such as solvents) with desired properties through computer aided molecular design
- SolventPro – Solvent selection tool for Separations, Organic synthesis, Solvent screening and mixture design, solvent swap, formulated products and cleaning.
- Solid solubility (PC-SAFT; NRTL-sac; UNI-sac)
ICAS (Integrated Computer Aided System)
ICAS: combines computer-aided tools for modelling, simulation, property prediction, synthesis/design, control and analysis into a single integrated system.
Il Pro is the newest software from KT Consortium. The new comprehensive software for Ionic Liquids (IL) aim is fast evaluation and identification of (new) Ionic Liquids. IL Pro 2.0 has three toolboxes: IL DB Manager (database and database manager), IL ProPred (property prediction), Computer Aided IL Design.
- Work-flows for model identification, simulation & optimization; new general user-interface (model template)
- PDE problem definition; matrix operations.
- Global sensitivity analysis using mechanistic or machine learning models
- Process simulation-based design space optimizer with embedded Monte Carlo-based uncertainty quantification
- ECON –cost calculation, economic assessment and feasibility of a chemical process from process development until plant running
- LCSoft – application for Life Cycle Analysis assessment using US Environmental Protection Agency (EPA) database for basic chemicals and utilities impact.
- SustainPro - sustainability analysis of processes and analysis of alternatives for more sustainable choices
- Product-Process Design Lab – offers a series of templates for product and process development such as controlled release products, uptake of pesticides, fuel cell design, formulation design, fuel blend design, emulsions design. It is integrated with other tools from ICAS such as MoT and ProPred