A speciation solver for cement paste modeling and the semismooth Newton method

Fabien Georget, Jean H. Prévost, Robert J. Vanderbei

Research output: Contribution to journalArticlepeer-review

9 Scopus citations


The mineral assemblage of a cement paste may vary considerably with its environment. In addition, the water content of a cement paste is relatively low and the ionic strength of the interstitial solution is often high. These conditions are extreme conditions with respect to the common assumptions made in speciation problem. Furthermore the common trial and error algorithm to find the phase assemblage does not provide any guarantee of convergence. We propose a speciation solver based on a semismooth Newton method adapted to the thermodynamic modeling of cement paste. The strong theoretical properties associated with these methods offer practical advantages. Results of numerical experiments indicate that the algorithm is reliable, robust, and efficient.

Original languageEnglish (US)
Pages (from-to)139-147
Number of pages9
JournalCement and Concrete Research
StatePublished - Jan 2015

All Science Journal Classification (ASJC) codes

  • Building and Construction
  • General Materials Science


  • Cement paste (D)
  • Modeling (E)
  • Speciation
  • Thermodynamic calculation (B)


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