### Abstract

A reactive system, with a number of species larger than the number of elements involved, has meaningful invariant algebraic properties in the space of the Gibbs function of reaction and temperature These properties, developed for a reactive system with two degrees of freedom, show that an, in principle, an infinite number of reactions can be reduced to smaller clusters whose thermodynamic feasibility can be evaluated through simple measures. The invariant algebraic properties of reactive systems in the [ΔG, T] space, together with the definition of a bounded feasibility region in the same space, allow the formulation of a search algorithm, which is used for the synthesis of feasible chemical production schemes. These ideas are demonstrated in an application to C_{1} chemistry, indicating that the approach developed can generate reaction paths some of which coincide with existing commercial processes.

Original language | English (US) |
---|---|

Pages (from-to) | 1569-1579 |

Number of pages | 11 |

Journal | Chemical Engineering Science |

Volume | 44 |

Issue number | 7 |

DOIs | |

State | Published - Jan 1 1989 |

Externally published | Yes |

### Fingerprint

### ASJC Scopus subject areas

- Chemistry(all)
- Chemical Engineering(all)
- Industrial and Manufacturing Engineering
- Applied Mathematics

### Cite this

*Chemical Engineering Science*,

*44*(7), 1569-1579. https://doi.org/10.1016/0009-2509(89)80033-8

**Studies on the synthesis of chemical reaction paths-II. reaction schemes with two degrees of freedom.** / Fornari, Tiziana; Rotstein, Enrique; Stephanopoulos, George.

Research output: Contribution to journal › Article

*Chemical Engineering Science*, vol. 44, no. 7, pp. 1569-1579. https://doi.org/10.1016/0009-2509(89)80033-8

}

TY - JOUR

T1 - Studies on the synthesis of chemical reaction paths-II. reaction schemes with two degrees of freedom

AU - Fornari, Tiziana

AU - Rotstein, Enrique

AU - Stephanopoulos, George

PY - 1989/1/1

Y1 - 1989/1/1

N2 - A reactive system, with a number of species larger than the number of elements involved, has meaningful invariant algebraic properties in the space of the Gibbs function of reaction and temperature These properties, developed for a reactive system with two degrees of freedom, show that an, in principle, an infinite number of reactions can be reduced to smaller clusters whose thermodynamic feasibility can be evaluated through simple measures. The invariant algebraic properties of reactive systems in the [ΔG, T] space, together with the definition of a bounded feasibility region in the same space, allow the formulation of a search algorithm, which is used for the synthesis of feasible chemical production schemes. These ideas are demonstrated in an application to C1 chemistry, indicating that the approach developed can generate reaction paths some of which coincide with existing commercial processes.

AB - A reactive system, with a number of species larger than the number of elements involved, has meaningful invariant algebraic properties in the space of the Gibbs function of reaction and temperature These properties, developed for a reactive system with two degrees of freedom, show that an, in principle, an infinite number of reactions can be reduced to smaller clusters whose thermodynamic feasibility can be evaluated through simple measures. The invariant algebraic properties of reactive systems in the [ΔG, T] space, together with the definition of a bounded feasibility region in the same space, allow the formulation of a search algorithm, which is used for the synthesis of feasible chemical production schemes. These ideas are demonstrated in an application to C1 chemistry, indicating that the approach developed can generate reaction paths some of which coincide with existing commercial processes.

UR - http://www.scopus.com/inward/record.url?scp=0024873869&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0024873869&partnerID=8YFLogxK

U2 - 10.1016/0009-2509(89)80033-8

DO - 10.1016/0009-2509(89)80033-8

M3 - Article

AN - SCOPUS:0024873869

VL - 44

SP - 1569

EP - 1579

JO - Chemical Engineering Science

JF - Chemical Engineering Science

SN - 0009-2509

IS - 7

ER -