Modeling the Effect of Sulfur Composition in Dispersed Systems
Involving Organosulfur Compounds
Authors: Perez-Sanchez Josué Francisco , Mendoza-Martínez Ana Maria , Suárez-Domínguez Edgardo Jonathan , Palacio-Pérez Arturo , Rodríguez-Rodríguez Jose Rafael , Pérez-Badell Yoana , Izquierdo Kulich Elena Francisca 
Published: March 2024

Background::

Organosulfur compounds within petroleum have far-reaching consequences
for the refining industry, combustion of petroleum products, and environmental
quality. They induce corrosion in refining equipment, hamper the efficient burning of petroleum
products, and contribute to environmental degradation. In high-density asphalt crudes,
these compounds are predominantly concentrated within asphaltenes. However, crude oils
with extremely high sulfur content, may be distributed across the four constituent families
defined by the SARA analysis of crude oil composition. These compounds, characterized
by differing polarities, can trigger the formation of a dispersed phase, whose destabilization
results in tube clogging issues.

Methods::

The research problem focuses on understanding how sulfur composition affects the
formation of a dispersed phase in low-polarity organic dispersion media for sulfur-containing
hydrocarbons. It is investigated because the presence of sulfur in crude oil significantly affects
the behavior of dispersed phases, which can result in operational and environmental quality issues
to comprehensively assess the impact of sulfur composition on the dynamics and stability of
this dispersed phase, we introduce a mesoscopic model based on the master equation. This model
considers the molecular structure of system components and their molecular properties, established
through computational quantum chemistry and statistical thermodynamics tools

Results::

While our research focuses on a two-phase system, our theoretical insights suggest
that increased sulfur content escalates the likelihood of destabilizing the dispersed phase.
This adverse effect can be mitigated by incorporating additives capable of reducing the
polarizability of the dispersion medium. The novelty lies in the development of a stochastic
model to predict the dynamics of dispersed phase formation in sulfur-containing hydrocarbons.
This model considers molecular interactions and stochastic processes, offering insights
into the influence of sulfur composition on phase behavior.

Conclusion::

A stochastic model, based on molecular structure, predicts accelerated formation
with increased sulfur concentration, reaching non-equilibrium steady states. Limitations include
ad hoc transition probabilities and the exclusion of factors like density and viscosity. Real
crudes, with complex compositions, may exhibit different behavior. The presence of sulfur in the
dispersion medium enhances the stability of the dispersed system. Our work sheds light on the
intricate interplay between sulfur content and the performance of petroleum systems, offering
potential solutions to mitigate these issues. Quantitative results include accelerated dispersed
phase formation with increased sulfur concentration. Qualitatively, molecular interactions and
stochastic processes were explored, highlighting sulfur's impact on phase dynamics.