### Abstract

We explore an approach to derive a computable chemical potential analog for thermostatted steady-state systems arbitrarily far from equilibrium. Although our method is not rigorous, it is based on theoretical and numerical evidence and exploits analogies with Widom's method widely used in computer simulations of equilibrium fluids. We obtain two formulas, one for steady states and one for the transient region. Despite being analogous to the equilibrium expression, the steady-state formula can only be used for approximate calculations. Possessing less obvious characteristics, we present representative calculations for the transient approach and discuss its numerical feasibility.

Original language | English |
---|---|

Pages (from-to) | 5522-5527 |

Number of pages | 6 |

Journal | Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics |

Volume | 60 |

Issue number | 5 A |

Publication status | Published - Nov 1999 |

### Fingerprint

### ASJC Scopus subject areas

- Physics and Astronomy(all)
- Condensed Matter Physics
- Statistical and Nonlinear Physics
- Mathematical Physics

### Cite this

*Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics*,

*60*(5 A), 5522-5527.

**Towards a computational chemical potential for nonequilibrium steady-state systems.** / Baranyai, A.; Cummings, Peter T.

Research output: Contribution to journal › Article

*Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics*, vol. 60, no. 5 A, pp. 5522-5527.

}

TY - JOUR

T1 - Towards a computational chemical potential for nonequilibrium steady-state systems

AU - Baranyai, A.

AU - Cummings, Peter T.

PY - 1999/11

Y1 - 1999/11

N2 - We explore an approach to derive a computable chemical potential analog for thermostatted steady-state systems arbitrarily far from equilibrium. Although our method is not rigorous, it is based on theoretical and numerical evidence and exploits analogies with Widom's method widely used in computer simulations of equilibrium fluids. We obtain two formulas, one for steady states and one for the transient region. Despite being analogous to the equilibrium expression, the steady-state formula can only be used for approximate calculations. Possessing less obvious characteristics, we present representative calculations for the transient approach and discuss its numerical feasibility.

AB - We explore an approach to derive a computable chemical potential analog for thermostatted steady-state systems arbitrarily far from equilibrium. Although our method is not rigorous, it is based on theoretical and numerical evidence and exploits analogies with Widom's method widely used in computer simulations of equilibrium fluids. We obtain two formulas, one for steady states and one for the transient region. Despite being analogous to the equilibrium expression, the steady-state formula can only be used for approximate calculations. Possessing less obvious characteristics, we present representative calculations for the transient approach and discuss its numerical feasibility.

UR - http://www.scopus.com/inward/record.url?scp=0000627618&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0000627618&partnerID=8YFLogxK

M3 - Article

C2 - 11970426

AN - SCOPUS:0000627618

VL - 60

SP - 5522

EP - 5527

JO - Physical review. E

JF - Physical review. E

SN - 2470-0045

IS - 5 A

ER -