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The thermodynamic principles coupled with statistical mechanical concepts and readily available computer power allows a detailed understanding of atomic and molecular scale phenomena, using increasingly realistic models. The simultaneous use of meso-scale and macro-scale methods opens multiscale simulation of complex processes yielding a key tool to assist process design. These simulation methods have also led to the development of new semi-theoretical equations of state that make it possible to introduce increased predictive power into the process simulators, and open the way for true product design methodologies.
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Last date updated on February, 2021