Predictive acidification modeling platform using thermodynamic simulations
A high-fidelity predictive modeling framework that uses thermodynamic simulations to accurately forecast pH evolution, buffering, and equilibrium states in complex systems, with proven applications in pharmaceuticals and potential in food safety.
Overview
The Predictive Acidification Modeling Platform is an advanced solution that leverages a mechanistic–thermodynamic framework to model and predict pH changes over time in complex multicomponent systems. Originally validated in pharmaceutical applications, this platform offers precise predictions of molecular diffusion, water transport, ionization equilibria, and stability under varying environmental conditions. This capability is crucial for ensuring safety and quality in food systems where diffusion-driven acidification and matrix buffering play critical roles.
Technical specifications
Key features:
- Mechanistic thermodynamic modeling: Provides a physically consistent description of acid dissociation, buffering capacity, and temperature effects.
- Integrated transient mass transport simulation: Accurately predicts pH evolution at both surface and core levels.
- Validated against complex systems: Proven reliability in pharmaceutical settings, transferable to food systems.
- Spatial diffusion–reaction kinetics: Offers meaningful predictions for diverse matrices and organic acids.
Technology readiness level
This platform has reached Technology Readiness Level 9, indicating full maturity and readiness for commercial deployment. It has undergone extensive validation in pharmaceuticals and is primed for application in food safety and quality assessment.
About amofor GmbH
amofor GmbH is a German biotechnology and pharmaceutical services company that provides in-silico drug formulation development and proprietary software tools. Founded as a spin-off from TU Dortmund University, the company utilizes physical chemistry and thermodynamic modeling—specifically the PC-SAFT framework—to predict the physical stability of active compounds. Their offerings include digital formulation services for amorphous solid dispersions, salt forms, and cocrystals, alongside their flagship software, SolCalc. By applying physics-based computational models, amofor enables researchers to screen excipients and determine optimal manufacturing methods, such as spray drying or hot-melt extrusion, before physical experiments begin.
This methodology is designed to replace traditional trial-and-error approaches in pharmaceutical development, helping clients reduce lab time and material costs while increasing development efficiency. By providing both specialized software and expert consulting, amofor addresses critical challenges in drug stability and bioavailability. The company serves the pharmaceutical, agrochemical, and life science sectors, aiming to streamline the transition from early-stage conceptualization to market-ready products with scientifically rigorous, predictive modeling. Their expertise in thermodynamics assists developers in managing complex mixtures and optimizing the long-term performance of formulated molecules.
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