Transport Properties of Waxy Crude Oil: A Molecular Dynamics Simulation Study
Xue‐Jiao Chen, Lei Hou, Xiaoyü Wei, Dmitry Bedrov
Abstract
simulated with the APPLE&P force field were found to be in much closer agreement with the experimental data. The OPLS-AA force field was found to overestimate the crystallization temperature of pure alkanes. Therefore, simulations with the APPLE&P provide more realistic description of the waxy oil structure and transport properties. In this temperature range, the paraffin molecules are homogeneously distributed in the mixture, and viscosity of the system increased by a factor of two compared to light oil. Crystallization of paraffins requires lower temperatures or/and the presence of other components such as nanoparticles or asphaltene molecules to facilitate nucleation.
Topics & Concepts
CrystallizationMolecular dynamicsViscosityForce field (fiction)ThermodynamicsDiffusionOPLSChemistryMolecular diffusionMoleculeMaterials scienceChemical physicsOrganic chemistryComputational chemistryWater modelComputer scienceEconomicsArtificial intelligencePhysicsOperations managementMetric (unit)Petroleum Processing and AnalysisHydrocarbon exploration and reservoir analysisEnhanced Oil Recovery Techniques