We have presented general ideas to develop a new theoretical methodology, based on molecular simulation and equations of state, for obtaining the phase envelope and to predict pressure, volume, temperature (PVT) conditions of asphaltene precipitation by only taking into account the composition of the heavy crude oil and an asphaltene average molecular structure. Those results show that asphaltene precipitation is a reversible thermodynamic process. The precipitated phase is a liquid phase which consists of mainly asphaltene and some heavy fractions from the crude. This methodology can be applied to find complete phase diagrams of different crude oils based on an asphaltene average molecular structure and the composition of crude oil.
López-Chávez, E., Pacheco-Sánchez, J. H., Martínez-Magadán, J. M., Castillo-Alvarado, F. D. L., Soto-Figueroa, C., & García-Cruz, I. (2007). Methodology for predicting the phase envelope of a heavy crude oil and its asphaltene deposition onset. Petroleum Science and Technology, 19-39. https://doi.org/10.1080/10916460601054180