Abstract
Equimolar mixtures composed of isomers were firstly used to investigate the molecular branching effect on thermal diffusion behavior, which was not disturbed by factors of molecular mass and composition in this work. Eight heptane isomers, including n-heptane, 2-methylhexane, 3-methylhexane, 2,2-dimethylpentane, 2,3-dimethylpentane, 2,4-dimethylpentane, 3,3-dimethylpentane and 3-ethylpentane, were chosen as the researched mixtures. A non-equilibrium molecular dynamics (NEMD) simulation with enhanced heat exchange (eHEX) algorithm was applied to calculate the Soret coefficient at
Funding source: National Natural Science Foundation of China
Award Identifier / Grant number: 51976087
Award Identifier / Grant number: 51676031
Funding statement: The present work is supported financially by the National Natural Science Foundation of China under grant numbers 51976087 and 51676031.
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© 2021 Walter de Gruyter GmbH, Berlin/Boston
Artikel in diesem Heft
- Frontmatter
- Research Articles
- Non-Equilibrium Molecular Dynamics Study of the Influence of Branching on the Soret Coefficient of Binary Mixtures of Heptane Isomers
- On the Physical Background of Nerve Pulse Propagation: Heat and Energy
- Learning Thermodynamically Stable and Galilean Invariant Partial Differential Equations for Non-Equilibrium Flows
- Continuum Modeling Perspectives of Non-Fourier Heat Conduction in Biological Systems
- The Maximum Power Cycle Operating Between a Heat Source and Heat Sink with Finite Heat Capacities
- Size Effects and Beyond-Fourier Heat Conduction in Room-Temperature Experiments
- The Role of Internal Irreversibilities in the Performance and Stability of Power Plant Models Working at Maximum ϵ-Ecological Function
Artikel in diesem Heft
- Frontmatter
- Research Articles
- Non-Equilibrium Molecular Dynamics Study of the Influence of Branching on the Soret Coefficient of Binary Mixtures of Heptane Isomers
- On the Physical Background of Nerve Pulse Propagation: Heat and Energy
- Learning Thermodynamically Stable and Galilean Invariant Partial Differential Equations for Non-Equilibrium Flows
- Continuum Modeling Perspectives of Non-Fourier Heat Conduction in Biological Systems
- The Maximum Power Cycle Operating Between a Heat Source and Heat Sink with Finite Heat Capacities
- Size Effects and Beyond-Fourier Heat Conduction in Room-Temperature Experiments
- The Role of Internal Irreversibilities in the Performance and Stability of Power Plant Models Working at Maximum ϵ-Ecological Function