Hierarchical estimation of sustainability-potential

Application to the manufacture of vinyl chloride1

Tengyan Zhang, L. T. Fan, Jiahong Liu, John R. Schlup, Paul A. Seib, F. Friedler, B. Bertók

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

A hierarchical approach to estimate the sustainability-potential of the alternative synthetic routes for the manufacture of vinyl chloride is presented. All the individual alternative synthetic routes (reaction paths) are identified by the graph-theoretic method based on P-graphs (process graphs). Subsequently, the individual alternative synthetic routes are sequentially assessed in descending order of quantifiability in terms of available energy, or exergy, dissipation the possible profit, and the toxicity index, respectively. Each of the synthetic routes surviving the scrutiny in light of available energy or exergy dissipation is subsequently assessed by evaluating its potential profit (gross profit). The toxicity of every synthetic route surviving the scrutiny in light of exergy dissipation and potential profit can be evaluated subsequently in terms of various toxicological properties from various existing databases. The toxicity index of a reacting species unlisted in the database can be estimated from those of similar chemicals already in the database. The overall toxicity index of synthetic route is computed as the sum of the toxicity indexes of all reacting species involved in its overall reaction. The efficacy of the approach is demonstrated with the manufacture of vinyl chloride. This is an abstract of a paper presented at the AIChE Annual Meeting (Salt Lake City, UT 11/4-9/2007).

Original languageEnglish
Title of host publication2007 AIChE Annual Meeting
Publication statusPublished - 2007
Event2007 AIChE Annual Meeting - Salt Lake City, UT, United States
Duration: Nov 4 2007Nov 9 2007

Other

Other2007 AIChE Annual Meeting
CountryUnited States
CitySalt Lake City, UT
Period11/4/0711/9/07

Fingerprint

Vinyl Chloride
Toxicity
Sustainable development
Databases
Exergy
Profitability
Toxicology

Keywords

  • Available energy
  • Chemical process
  • Exergy
  • P-graphs
  • Profit-potential
  • Sustainability-potential
  • Synthetic routes
  • Toxicity index

ASJC Scopus subject areas

  • Biotechnology
  • Chemical Engineering(all)
  • Bioengineering
  • Safety, Risk, Reliability and Quality

Cite this

Zhang, T., Fan, L. T., Liu, J., Schlup, J. R., Seib, P. A., Friedler, F., & Bertók, B. (2007). Hierarchical estimation of sustainability-potential: Application to the manufacture of vinyl chloride1. In 2007 AIChE Annual Meeting

Hierarchical estimation of sustainability-potential : Application to the manufacture of vinyl chloride1. / Zhang, Tengyan; Fan, L. T.; Liu, Jiahong; Schlup, John R.; Seib, Paul A.; Friedler, F.; Bertók, B.

2007 AIChE Annual Meeting. 2007.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Zhang, T, Fan, LT, Liu, J, Schlup, JR, Seib, PA, Friedler, F & Bertók, B 2007, Hierarchical estimation of sustainability-potential: Application to the manufacture of vinyl chloride1. in 2007 AIChE Annual Meeting. 2007 AIChE Annual Meeting, Salt Lake City, UT, United States, 11/4/07.
Zhang T, Fan LT, Liu J, Schlup JR, Seib PA, Friedler F et al. Hierarchical estimation of sustainability-potential: Application to the manufacture of vinyl chloride1. In 2007 AIChE Annual Meeting. 2007
Zhang, Tengyan ; Fan, L. T. ; Liu, Jiahong ; Schlup, John R. ; Seib, Paul A. ; Friedler, F. ; Bertók, B. / Hierarchical estimation of sustainability-potential : Application to the manufacture of vinyl chloride1. 2007 AIChE Annual Meeting. 2007.
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