Prediction of water vapour sorption isotherms and microstructure of hardened Portland cement pastes

Abstract Water vapour sorption isotherms of cementitious materials reflect the multi-scale physical microstructure through its interaction with moisture. Our ability to understand and predict adsorption and desorption behaviour is essential in the application of modern performance-based approaches to durability analysis, along with many other areas of hygro-mechanical and hygro-chemo-mechanical behaviour. In this paper, a new physically based model for predicting water vapour sorption isotherms of arbitrary hardened Portland cement pastes is presented. Established thermodynamic principles, applied to a microstructure model that develops with hydration, provide a rational basis for predictions. Closed-form differentiable equations, along with a rational consideration of hysteresis and scanning phenomena, makes the model suitable for use in numerical moisture simulations. The microstructure model is reconciled with recently published 1H NMR and mercury intrusion porosimetry results.

[1]  G. Sant,et al.  Quantitative discrimination of the nano-pore-structure of cement paste during drying: New insights from water sorption isotherms , 2015 .

[2]  Koichi Maekawa,et al.  Multi-scale modeling of structural concrete , 2008 .

[3]  M. Griebel,et al.  The nano-branched structure of cementitious calcium–silicate–hydrate gel , 2011 .

[4]  L. Franke,et al.  Inkbottle Pore-Method: Prediction of hygroscopic water content in hardened cement paste at variable climatic conditions , 2006 .

[5]  C. M. Hunt,et al.  Some Effects of Aging on the Surface Area of Portland Cement Paste , 1960, Journal of research of the National Bureau of Standards. Section A, Physics and chemistry.

[6]  M. Bazant,et al.  Theory of sorption hysteresis in nanoporous solids: Part II Molecular condensation , 2011, 1111.4759.

[7]  I. Richardson The nature of C-S-H in hardened cements , 1999 .

[8]  P. J. Sereda,et al.  A NEW MODEL FOR HYDRATED PORTLAND CEMENT AND ITS PRACTICAL IMPLICATIONS , 1970 .

[9]  Bernhard A. Schrefler,et al.  What physical phenomena can be neglected when modelling concrete at high temperature? A comparative study. Part 1: Physical phenomena and mathematical model , 2011 .

[10]  D. Do,et al.  Adsorption analysis : equilibria and kinetics , 1998 .

[11]  Emilio Bastidas-Arteaga,et al.  Influence of weather and global warming in chloride ingress into concrete: A stochastic approach , 2010 .

[12]  H. Jennings,et al.  A model for two types of calcium silicate hydrate in the microstructure of Portland cement pastes , 2000 .

[13]  Hamlin M. Jennings,et al.  Model for the Developing Microstructure in Portland Cement Pastes , 1994 .

[14]  E. Barrett,et al.  (CONTRIBUTION FROM THE MULTIPLE FELLOWSHIP OF BAUGH AND SONS COMPANY, MELLOX INSTITUTE) The Determination of Pore Volume and Area Distributions in Porous Substances. I. Computations from Nitrogen Isotherms , 1951 .

[15]  P. Ordejón,et al.  Capacitive DNA Detection Driven by Electronic Charge Fluctuations in a Graphene Nanopore , 2015 .

[16]  Olivier Coussy,et al.  Characterization and identification of equilibrium and transfer moisture properties for ordinary and high-performance cementitious materials , 1999 .

[17]  B. Martín‐Pérez Service life modelling of R.C. highway structures exposed to chlorides , 1999 .

[18]  Torben C. Hansen,et al.  Physical structure of hardened cement paste. A classical approach , 1986 .

[19]  L. Sarkisov,et al.  Modeling of Adsorption and Desorption in Pores of Simple Geometry Using Molecular Dynamics , 2001 .

[20]  Hamlin M. Jennings,et al.  Refinements to colloid model of C-S-H in cement: CM-II , 2008 .

[21]  N. N. Skoblinskaya,et al.  Changes in crystal structure of ettringite on dehydration. 1 , 1975 .

[22]  Jeffrey W. Bullard,et al.  Modeling and simulation of cement hydration kinetics and microstructure development , 2011 .

[23]  V. P. Varlamov,et al.  Changes in crystal structure of ettringite on dehydration. 2 , 1975 .

[24]  B. Smarsly,et al.  Cavitation in metastable liquid nitrogen confined to nanoscale pores. , 2010, Langmuir : the ACS journal of surfaces and colloids.

[25]  R. Mikhail,et al.  ADSORPTION OF ORGANIC VAPORS IN RELATION TO THE PORE STRUCTURE OF HARDENED PORTLAND CEMENT PASTES , 1966 .

[26]  P. J. Sereda,et al.  EFFECT OF SORBED WATER ON SOME MECHANICAL PROPERTIES OF HYDRATED PORTLAND CEMENT PASTES AND COMPACTS , 1966 .

[27]  Abdelkarim Aït-Mokhtar,et al.  Water vapour desorption variability of in situ concrete and effects on drying simulations , 2011 .

[28]  Olivier Buzzi,et al.  A fractal basis for soil-water characteristics curves with hydraulic hysteresis , 2012 .

[29]  A. Nonat,et al.  Hydration of cementitious materials, present and future , 2011 .

[30]  S. Poyet,et al.  Temperature dependence of the sorption isotherms of cement-based materials: Heat of sorption and Clausius–Clapeyron formula , 2009 .

[31]  C. M. Hunt,et al.  Some factors affecting the surface area of hydrated portland cement as determined by water-vapor and nitrogen adsorption , 1957 .

[32]  James J. Beaudoin,et al.  Dimensional change and elastic behavior of layered silicates and Portland cement paste , 2010 .

[33]  Zhidong Zhang Modelling of sorption hysteresis and its effect on moisture transport within cementitious materials , 2014 .

[34]  P. Pourbeik,et al.  Dimensional stability of 1·4 nm tobermorite, jennite and other layered calcium silicate hydrates , 2015 .

[35]  Matthew B. Pinson,et al.  Hysteresis from Multiscale Porosity: Modeling Water Sorption and Shrinkage in Cement Paste , 2015 .

[36]  I. Odler The BET-specific surface area of hydrated Portland cement and related materials , 2003 .

[37]  Sébastien Balibar,et al.  Equation of state of water under negative pressure. , 2010, The Journal of chemical physics.

[38]  Alain Sellier,et al.  Toward a better comprehension and modeling of hysteresis cycles in the water sorption-desorption process for cement based materials , 2011 .

[39]  S. Poyet Experimental investigation of the effect of temperature on the first desorption isotherm of concrete , 2009 .

[40]  Hamlin M. Jennings,et al.  A model for the microstructure of calcium silicate hydrate in cement paste , 2000 .

[41]  W. Hansen,et al.  Effect of first drying upon the pore structure of hydrated alite paste , 1980 .

[42]  A. Routh,et al.  Growth of sheets in 3D confinements - a model for the C-S-H meso structure , 2014 .

[43]  Hamlin M. Jennings,et al.  Structural Changes to the Calcium–Silicate–Hydrate Gel Phase of Hydrated Cement with Age, Drying, and Resaturation , 2008 .

[44]  Abdelkarim Aït-Mokhtar,et al.  Moisture characterization of cementitious material properties: Assessment of water vapor sorption isotherm and permeability variation with ages , 2015 .

[45]  N. Burlion,et al.  Performance evaluation of models describing sorption isotherm in cementitious materials between saturation and oven dryness , 2012 .

[46]  A discussion of the paper "Refinements to colloidal model of C-S-H in cement: CM-II" by Hamlin M. Jennings ☆ , 2008 .

[47]  S. Brunauer,et al.  Pore structure analysis by water vapor adsorption. III. Analysis of hydrated calcium silicates and portland cements , 1972 .

[48]  Reinhard Trettin,et al.  The Influence of Different Drying Methods on Cement Paste Microstructures as Reflected by Gas Adsorption: Comparison between Freeze-Drying (F-Drying), D-Drying, P-Drying and Oven-Drying Methods , 2006 .

[49]  Chris J. Pearce,et al.  A fully generalised, coupled, multi-phase, hygro-thermo-mechanical model for concrete , 2010 .

[50]  K. Maekawa,et al.  Multi-scale Modeling of Concrete Performance , 2003 .

[51]  N. Seaton,et al.  Sorption hysteresis as a probe of pore structure , 1993 .

[52]  Michael J Sailor,et al.  Gas adsorption and capillary condensation in nanoporous alumina films , 2008, Nanotechnology.

[53]  K. Scrivener,et al.  Studying nucleation and growth kinetics of alite hydration using μic , 2009 .

[54]  M. Thommes Physical Adsorption Characterization of Nanoporous Materials , 2010 .

[55]  G. Camps,et al.  Drying creep in cyclic humidity conditions , 2015 .

[56]  Stephen Brunauer,et al.  Pore structure analysis by water vapor adsorption: I. t-Curves for water vapor , 1969 .

[57]  Z. Bažant,et al.  Moisture diffusion in cementitious materials Adsorption isotherms , 1994 .

[58]  K. Scrivener,et al.  Densification of C–S–H Measured by 1H NMR Relaxometry , 2013 .

[59]  Kejin Wang,et al.  Chemical shrinkage behavior of pastes made with different types of cements , 2013 .

[60]  K. Sing,et al.  Adsorption by Powders and Porous Solids: Principles, Methodology and Applications , 1998 .

[61]  Qing Ji,et al.  Water Isotherms, Shrinkage and Creep of Cement Paste: Hypotheses, Models and Experiments , 2013 .

[62]  L. Parrott Effect of drying history upon the exchange of pore water with methanol and upon subsequent methanol sorption behaviour in hydrated alite paste , 1981 .

[63]  Frédéric Caupin,et al.  Cavitation in water: a review , 2006 .

[64]  T. L. Brownyard,et al.  Studies of the Physical Properties of Hardened Portland Cement Paste , 1946 .

[65]  M. Setzer,et al.  The statistical thickness and the chemical potential of adsorbed water films , 1981 .

[66]  P. L. Pratt,et al.  Morphological Development of Hydrating Tricalcium Silicate as Examined by Electron Microscopy Techniques , 1981 .

[67]  Véronique Baroghel-Bouny,et al.  Caractérisation microstructurale et hydrique des pâtes de ciment et des bétons ordinaires et à très hautes performances , 1994 .

[68]  E. Teller,et al.  ADSORPTION OF GASES IN MULTIMOLECULAR LAYERS , 1938 .

[69]  G. Sant,et al.  Water Vapor Sorption in Cementitious Materials—Measurement, Modeling and Interpretation , 2014, Transport in Porous Media.

[70]  K. Scrivener,et al.  The morphology of C–S–H: Lessons from 1H nuclear magnetic resonance relaxometry , 2013 .

[71]  Qijun Yu,et al.  Measurement of chemical shrinkage of cement paste: Comparison study of ASTM C 1608 and an improved method , 2013 .

[72]  C. Hansson,et al.  Proton Spin–Spin Relaxation Study of the Effect of Temperature on White Cement Hydration , 2007 .

[73]  Y. Xi A model for moisture capacities of composite materials Part II: application to concrete , 1995 .

[74]  K. Scrivener,et al.  Hydration states of AFm cement phases , 2015 .

[75]  R. Feldman,et al.  SORPTION OF WATER ON COMPACTS OF BOTTLE-HYDRATED CEMENT. I. THE SORPTION AND LENGTH-CHANGE ISOTHERMS. II. THERMODYNAMIC CONSIDERATIONS AND THEORY OF VOLUME CHANGE, , 1964 .

[77]  Leonard H. Cohan,et al.  Sorption Hysteresis and the Vapor Pressure of Concave Surfaces , 1938 .

[78]  R. Feldman,et al.  A model for hydrated Portland cement paste as deduced from sorption-length change and mechanical properties , 1968 .

[79]  Sidney Diamond,et al.  Mercury porosimetry: An inappropriate method for the measurement of pore size distributions in cement-based materials , 2000 .

[80]  Min Wu,et al.  A study of the water vapor sorption isotherms of hardened cement pastes: Possible pore structure changes at low relative humidity and the impact of temperature on isotherms , 2014 .

[81]  K. V. Van Vliet,et al.  Thermodynamics of water confined in porous calcium-silicate-hydrates. , 2012, Langmuir : the ACS journal of surfaces and colloids.

[82]  K. Scrivener,et al.  Methods to determine hydration states of minerals and cement hydrates , 2014 .

[83]  S. Foster,et al.  Experimental Study of Temperature Effects on Water Vapour Sorption and Moisture Transport Phenomena , 2015 .

[84]  Jeffrey J. Thomas,et al.  Analysis of C–S–H gel and cement paste by small-angle neutron scattering , 2005 .

[85]  V. Baroghel-Bouny Water Vapour Sorption Experiments on Hardened Cementitious Materials: Part I: Essential Tool for Analysis of Hygral Behaviour and its Relation to Pore Structure , 2007 .

[86]  J. Sambles,et al.  The Kelvin equation—a review , 1972 .

[87]  L. E. Copeland,et al.  Porosity of Hardened Portland Cement Pastes , 1956 .

[88]  K. Scrivener,et al.  Use of bench-top NMR to measure the density, composition and desorption isotherm of C–S–H in cement paste , 2013 .

[89]  J. Daian Condensation and isothermal water transfer in cement mortar Part I — Pore size distribution, equilibrium water condensation and imbibition , 1988 .

[90]  Roman Lackner,et al.  Model-based risk assessment of concrete spalling in tunnel linings under fire loading , 2014 .

[91]  Hamlin M. Jennings,et al.  The Surface Area of Hardened Cement Paste as Measured by Various Techniques , 1999 .