Thermophysical properties of simple molecular liquid mixtures: On the limitations of some force fields
Abdoul Wahidou Saley Hamani, Jean-Patrick Bazile, Hai Hoang, Han Tuong Luc, Jean‐Luc Daridon, Guillaume Galliéro
Topics & Concepts
ThermodynamicsCombining rulesMolecular dynamicsForce field (fiction)Monte Carlo methodWork (physics)ViscositySpeed of soundCompressibilityJanusMaterials scienceChemistryStatistical physicsBinary numberComputational chemistryPhysicsMathematicsArithmeticStatisticsNanotechnologyQuantum mechanicsPhase Equilibria and ThermodynamicsThermodynamic properties of mixturesMaterial Dynamics and Properties