What is PC-SAFT?

PC-SAFT, short for Perturbed Chain Statistical Associating Fluid Theory, stands as one of the foremost models in the realm of molecular thermodynamics. This innovative theory has significantly contributed to understanding and predicting the behavior of complex fluids, especially in the realm of chemical engineering and process simulation.

At its core, PC-SAFT offers a robust framework for describing the thermodynamic properties of substances, particularly those that exhibit intricate molecular structures and interactions. Unlike simpler models, PC-SAFT takes into account the molecular structure of substances, acknowledging the complexities arising from the shapes, sizes, and interactions between molecules. This holistic approach enables more accurate predictions of phase equilibria, critical points, and other vital thermodynamic properties.

The theory is rooted in the principle of statistical associating fluids, where molecules are seen as chains of segments with specific association sites. These segments interact via various energy contributions, including dispersion forces, attractive and repulsive interactions, as well as association effects. By considering these molecular details, PC-SAFT achieves a higher level of accuracy in describing fluid behavior under different conditions compared to traditional equations of state.

One of the key advantages of PC-SAFT lies in its applicability across a wide range of substances, from simple gases to complex polymers and biomolecules. Its versatility allows engineers and scientists to study and predict the behavior of diverse systems encountered in numerous industries, such as oil and gas, pharmaceuticals, chemicals, and materials science. The scientifically proven applicability especially to complex drug molecules and polymers is the reason why we utilize it at amofor for our in-silico predictions.

PC-SAFT has found extensive use in process design and optimization. Its ability to model phase behavior accurately assists in the development of more efficient separation processes, formulation of new products, and optimization of existing processes. This not only saves time and resources but also contributes to more sustainable and environmentally friendly practices by enabling the design of processes with reduced energy consumption and waste generation.

PC-SAFT stands as a powerful tool in the realm of molecular thermodynamics, revolutionizing the understanding and prediction of complex fluid behaviors. Its versatility and accuracy make it an indispensable asset across various industries, shaping the landscape of modern engineering and scientific research. As advancements in this field continue, PC-SAFT is poised to remain a cornerstone in the quest for understanding and manipulating the behavior of complex fluids.