'Helmholtz free energy' diaporamas de présentation

2. Thermodynamics of systems

2. Thermodynamics of systems. 2014. 2.1 The Helmholtz free energy. In a not isolated system the entropy increases, considering both the system and ist environment (1.78). D S system + D S surroundings ? 0. (1.78).

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Molecular Simulation Background

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Entropy (?)

Entropy (?). What is entropy ?. A count of the number of equivalent states of a system Equivalent ? States ??. Entropy. Entropy. D S < 0. Entropy. Entropy. D S < 0. Entropy. Entropy. D S > 0. Bonding/Assembly. Bond Energy vs. Thermal Energy. What is Energy?.

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Introduction to (Statistical) Thermodynamics

Introduction to (Statistical) Thermodynamics. Molecular Simulations. MD. Molecular dynamics: solve equations of motion Monte Carlo: importance sampling. r 1. r 2. r n. MC. r 1. r 2. r n. Questions. What is the desired distribution?.

440 views • 35 slides

Bridging scales: Ab initio atomistic thermodynamics

Bridging scales: Ab initio atomistic thermodynamics. Karsten Reuter Fritz-Haber-Institut, Berlin. gas phase. surface. bulk. General idea. Motivation: extend length scale consider finite temperature effects. Approach: separate system into sub-systems

498 views • 31 slides

Spontaneous Processes

Spontaneous Processes. The Second Law: D S ? 0 The entropy of a closed system can only increase. If a process will decrease entropy in a closed system, then it does not occur spontaneously. Its opposite will occur spontaneously. But we very rarely work with closed systems.

945 views • 24 slides

M.Sc. Project of Hanif Bayat Movahed

M.Sc. Project of Hanif Bayat Movahed. The Phase Transitions of Semiflexible Hard Sphere Chain Liquids. Supervisor: Prof. Don Sullivan. Semiflexible Hard Sphere Model. Molecule : Chain: Hard sphere beads Self avoiding beads (non intersecting monomers):

356 views • 22 slides

Let us do the Legendre transformation to exclude S :

Helmholtz free energy.

64 views • 6 slides