skip to main content

SciTech ConnectSciTech Connect

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

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.
Authors:
 [1] ;  [1] ;  [2]
  1. Princeton University, Department of Civil and Environmental Engineering, Princeton NJ08544 (United States)
  2. Princeton University, Department of Operations Research and Financial Engineering, NJ08544 (United States)
Publication Date:
OSTI Identifier:
22475487
Resource Type:
Journal Article
Resource Relation:
Journal Name: Cement and Concrete Research; Journal Volume: 68; Other Information: Copyright (c) 2014 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ALGORITHMS; CEMENTS; CHEMICAL STATE; CONVERGENCE; ERRORS; HUMIDITY; MINERALS; NEWTON METHOD; THERMODYNAMICS