### Abstract

This work compares two strategies to fit parameters of equations of state in parallel computers, emphasizing solutions that require few changes to existing sequential programs. One strategy uses the conventional Nelder-Mead algorithm coupled with parallel objective function evaluation (SSPO). The other strategy uses a parallel Nelder-Mead algorithm coupled with sequential objective function evaluation (PSSO). The PSSO strategy, which executes parallel one-dimensional searches during each iteration, is simpler to implement and converged to parameter sets with objective functions smaller than those obtained by the SSPO strategy. The SSPO strategy produced speedups consistent with the number of processes used and is more suitable when many processors are available. Both strategies are potentially useful and choosing between them is a matter of convenience, depending on the problem at hand. With parallel computers increasingly available, the easy implementation and convenience of these two strategies should appeal to developers and users of thermodynamic models.

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

Pages (from-to) | 993-1002 |

Number of pages | 10 |

Journal | Brazilian Journal of Chemical Engineering |

Volume | 31 |

Issue number | 4 |

DOIs | |

Publication status | Published - 1 Oct 2014 |

### Fingerprint

### Keywords

- Equations of state
- Message passing interface
- Parallel
- Parameter fitting

### ASJC Scopus subject areas

- Chemical Engineering(all)

### Cite this

*Brazilian Journal of Chemical Engineering*,

*31*(4), 993-1002. https://doi.org/10.1590/0104-6632.20140314s00002632

**Fitting equation of state parameters in parallel computers.** / Castier, M.; Checoni, R. F.; Zuber, A.

Research output: Contribution to journal › Article

*Brazilian Journal of Chemical Engineering*, vol. 31, no. 4, pp. 993-1002. https://doi.org/10.1590/0104-6632.20140314s00002632

}

TY - JOUR

T1 - Fitting equation of state parameters in parallel computers

AU - Castier, M.

AU - Checoni, R. F.

AU - Zuber, A.

PY - 2014/10/1

Y1 - 2014/10/1

N2 - This work compares two strategies to fit parameters of equations of state in parallel computers, emphasizing solutions that require few changes to existing sequential programs. One strategy uses the conventional Nelder-Mead algorithm coupled with parallel objective function evaluation (SSPO). The other strategy uses a parallel Nelder-Mead algorithm coupled with sequential objective function evaluation (PSSO). The PSSO strategy, which executes parallel one-dimensional searches during each iteration, is simpler to implement and converged to parameter sets with objective functions smaller than those obtained by the SSPO strategy. The SSPO strategy produced speedups consistent with the number of processes used and is more suitable when many processors are available. Both strategies are potentially useful and choosing between them is a matter of convenience, depending on the problem at hand. With parallel computers increasingly available, the easy implementation and convenience of these two strategies should appeal to developers and users of thermodynamic models.

AB - This work compares two strategies to fit parameters of equations of state in parallel computers, emphasizing solutions that require few changes to existing sequential programs. One strategy uses the conventional Nelder-Mead algorithm coupled with parallel objective function evaluation (SSPO). The other strategy uses a parallel Nelder-Mead algorithm coupled with sequential objective function evaluation (PSSO). The PSSO strategy, which executes parallel one-dimensional searches during each iteration, is simpler to implement and converged to parameter sets with objective functions smaller than those obtained by the SSPO strategy. The SSPO strategy produced speedups consistent with the number of processes used and is more suitable when many processors are available. Both strategies are potentially useful and choosing between them is a matter of convenience, depending on the problem at hand. With parallel computers increasingly available, the easy implementation and convenience of these two strategies should appeal to developers and users of thermodynamic models.

KW - Equations of state

KW - Message passing interface

KW - Parallel

KW - Parameter fitting

UR - http://www.scopus.com/inward/record.url?scp=84913585579&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84913585579&partnerID=8YFLogxK

U2 - 10.1590/0104-6632.20140314s00002632

DO - 10.1590/0104-6632.20140314s00002632

M3 - Article

AN - SCOPUS:84913585579

VL - 31

SP - 993

EP - 1002

JO - Brazilian Journal of Chemical Engineering

JF - Brazilian Journal of Chemical Engineering

SN - 0104-6632

IS - 4

ER -