Mineralogical evolution of cement pastes at early ages based on thermogravimetric analysis (TGA)

[EN] Ordinary thermogravimetric analysis (TG) and high-resolution TG tests were carried out on three different Portland cement pastes to study the phases present during the first day of hydration. Tests were run at 1, 6, 12 and 24 h of hydration, in order to determine the phases at these ages. High-resolution TG tests were used to separate decompositions presented in the 100¿200 C interval. The non-evaporable water determined by TG was used to determine hydration degree for the different ages. The effect of particle size distribution (PSD) on mineralogical evolution was established, as well as the addition of calcite as mineralogical filler. Finer PSD and calcite addition accelerate the hydration process, increasing the hydration degree on the first day of eaction between water and cement. According to high-resolution TG results, it was demonstrated that ettringite was the only decomposed phase in the 100¿200 C interval during the first 6 h of hydration for all studied cements. C-S-H phase starts to appear in all cements after 12 h of hydration.Funding was provided by Colciencias (Grant No. Convocatoria 567-2012).Gaviria, X.; Borrachero Rosado, MV.; Paya Bernabeu, JJ.; Monzó Balbuena, JM.; Tobón, J. (2018). Mineralogical evolution of cement pastes at early ages based on thermogravimetric analysis (TGA). Journal of Thermal Analysis and Calorimetry. 132(1):39-46. https://doi.org/10.1007/s10973-017-6905-0S39461321Benboudjema F, Meftah JM, Torernti F. Interaction between drying, shrinkage, creep and cracking phenomena in concrete. Eng Struct. 2005;27:239–50.Holt E. Contribution of mixture design to chemical and autogenous shrinkage of concrete at early ages. Cem Concr Res. 2005;35:464–72.Darquennes A, Staquet S, Delplancke-Ogletree MP, Espion B. Effect of autogenous deformation on the cracking risk of slag cement concretes. Cem Concr Compos. 2011;33:368–79.Slowik V, Schmidt M, Fritzsch R. Capillary pressure in fresh cement-based materials and identification of the air entry value. Cem Concr Compos. 2008;30(7):557–65.Evju C, Hansen S. Expansive properties of ettringite in a mixture of calcium aluminate cement, Portland cement and ß-calcium sulfate hemihydrates. Cem Concr Res. 2001;31:257–61.Bentz DP, Jensen OM, Hansen KK. Olesen, Stang, H. Haecker, C.J. Influence of cement particle-size distribution on early age autogenous strain and stresses in cement-based materials. J Am Ceram Soc. 2001;84(1):129–35.Barcelo L, Moranville M, Clavaud B. Autogenous shrinkage of concrete: a balance between autogenous swelling and self-desiccation. Cem Concr Res. 2005;35(1):177–83.Bouasker M, Mounanga P, Turcry P, Loukili A, Khelidj A. Chemical shrinkage of cement pastes and mortars at very early age: effect of limestone filler and granular inclusions. Cem Concr Compos. 2008;30(1):13–22.Bentz DP. A review of early-age properties of cement-based materials. Cem Concr Res. 2008;38(2):196–204.Ozawa T. Controlled rate thermogravimetry. New usefulness of controlled rate thermogravimetry revealed by decomposition of polyimide. J Therm Anal Calorim. 2000;59:375–84.Ramachandran VS, Paroli RM, Beaudoin JJ, Delgado AH. Thermal analysis of construction materials. Building materials series. New York: Noyes Publications; 2003.Zanier A. High-resolution TG for the characterization of diesel fuel additives. J Therm Anal Calorim. 2001;64:377–84.Tobón JI, Payá J, Borrachero MV, Restrepo OJ. Mineralogical evolution of Portland cement blended with silica nanoparticles and its effect on mechanical strength. Constr Build Mater. 2012;36:736–42.Singh M, Waghmare S, Kumar V. Characterization of lime plasters used in 16th century Mughal Monument. J Archeol Sci. 2014;42:430–4.Majchrzak-Kuçeba I. Thermogravimetry applied to characterization of fly ash-based MCM-41 mesoporous materials. J Therm Anal Calorim. 2012;107:911–21.Silva ACM, Gálico DA, Guerra RB, Legendre AO, Rinaldo D, Galhiane MS, Bannach G. Study of some volatile compounds evolved from the thermal decomposition of atenolol. J Therm Anal Calorim. 2014;115:2517–20.Rios-Fachal M, Gracia-Fernández C, López-Beceiro J, Gómez-Barreiro S, Tarrío-Saavedra J, Ponton A, Artiaga R. Effect of nanotubes on the thermal stability of polystyrene. J Therm Anal Calorim. 2013;113:481–7.Yamarte L, Paxman D, Begum S, Sarkar P, Chambers A. TG measurement of reactivity of candidate oxygen carrier materials. J Therm Anal Calorim. 2014;116:1301–7.Borrachero MV, Payá J, Bonilla M, Monzó J. The use of thermogravimetric analysis technique for the characterization of construction materials. The gypsum case. J Therm Anal Calorim. 2008;91(2):503–9.Tobón JI, Payá J, Borrachero MV, Soriano L, Restrepo OJ. Determination of the optimum parameters in the high resolution thermogravimetric analysis (HRTG) for cementitious materials. J Therm Anal Calorim. 2012;107:233–9.Kuzielova E, Žemlička M, Másilko, J, Palou, M.T. Effect of additives on the performance of Dyckerhoff cement, Class G, submitted to simulated hydrothermal curing. J Therm Anal Calorim. Accepted 29 Oct 2017Genc M, Genc ZK. Microencapsulated myristic acid–fly ash with TiO2 shell as a novel phase change material for building application. J Therm Anal Calorim. Accepted 24 Oct 2017.Singh M, Kumar SV, Waghmare SA. The composition and technology of the 3–4th century CE decorative earthen plaster of Pithalkhora caves, India. J Archeol Sci. 2016;7:224–37.Liu L, Liu Q, Cao Y, Pan WP. The isothermal studies of char-CO2 gasification using the high-pressure thermo-gravimetric method. J Therm Anal Calorim. 2015;120:1877–82.Majchrzak-Kuce I, Bukalak-Gaik D. Regeneration performance of metal–organic frameworks TG-vacuum tests. J Therm Anal Calorim. 2016;125:1461–6.Ion RM, Radovici C, Fierascu RC, Fierascu I. Thermal and mineralogical investigations of iron archaeological Materials. J Therm Anal Calorim. 2015;121:1247–53.Rupasinghe M, San Nicolas R, Mendis P, Sofi M, Ngo T. Investigation of strength and hydration characteristics in nano-silica incorporated cement paste. Cem Concr Compos. 2017;80:17–30.Esteves PL. On the hydration of water-entrained cement–silica systems: combined SEM, XRD and thermal analysis in cement pastes. Thermochim Acta. 2011;518:27–35.Riesen R. Adjustment of heating rate for maximum resolution in TG and TMA (MaxRes). J Therm Anal. 1998;53:365–74.Lim S, Mondal P. Micro- and nano-scale characterization to study the thermal degradation of cement-based materials. Mater Charact. 2014;92:15–25.Gill PS, Sauerbrunn SR, Crowe BS. High resolution thermogravimetry. J Therm Anal. 1992;38:255–66.Mounanga P, Khelidj A, Loukili A, Baroghel-Bouny V. Predicting Ca(OH)2 content and chemical shrinkage of hydrating cement pastes using analytical approach. Cem Concr Res. 2004;34:255–65.Zeng Q, Li K, Fen-chong T, Dangla P. Determination of cement hydration and pozzolanic reaction extents for fly-ash cement pastes. Constr Build Mater. 2012;27:560–9.Parrott LP, Geiker M, Gutteridge WA, Killoh D. Monitoring Portland cement hydration: Comparison of methods. Cem Concr Res. 1990;20:919–26.Hewlett PC. Lea’s chemistry of cement and concrete. 4th ed. Oxford: Elsevier Science & Technology Books; 2004.ASTM C305 Standard practice for mechanical mixing of hydraulic cement pastes and mortars of plastic consistency. ASTM International, West Conshohocken, PA; 2012.Taylor HF. Cement chemistry. 2nd ed. Westminster: Thomas Telford; 1997.Nadelman EI, Freas DJ, Kurtis KE. Nano- and microstructural characterization of Portland limestone cement paste. In: Nanotechnology in construction. Proceedings of NICOM 5. 2015. p. 87–92

BioDMET: a physiologically based pharmacokinetic simulation tool for assessing proposed solutions to complex biological problems

We developed a detailed, whole-body physiologically based pharmacokinetic (PBPK) modeling tool for calculating the distribution of pharmaceutical agents in the various tissues and organs of a human or animal as a function of time. Ordinary differential equations (ODEs) represent the circulation of body fluids through organs and tissues at the macroscopic level, and the biological transport mechanisms and biotransformations within cells and their organelles at the molecular scale. Each major organ in the body is modeled as composed of one or more tissues. Tissues are made up of cells and fluid spaces. The model accounts for the circulation of arterial and venous blood as well as lymph. Since its development was fueled by the need to accurately predict the pharmacokinetic properties of imaging agents, BioDMET is more complex than most PBPK models. The anatomical details of the model are important for the imaging simulation endpoints. Model complexity has also been crucial for quickly adapting the tool to different problems without the need to generate a new model for every problem. When simpler models are preferred, the non-critical compartments can be dynamically collapsed to reduce unnecessary complexity. BioDMET has been used for imaging feasibility calculations in oncology, neurology, cardiology, and diabetes. For this purpose, the time concentration data generated by the model is inputted into a physics-based image simulator to establish imageability criteria. These are then used to define agent and physiology property ranges required for successful imaging. BioDMET has lately been adapted to aid the development of antimicrobial therapeutics. Given a range of built-in features and its inherent flexibility to customization, the model can be used to study a variety of pharmacokinetic and pharmacodynamic problems such as the effects of inter-individual differences and disease-states on drug pharmacokinetics and pharmacodynamics, dosing optimization, and inter-species scaling. While developing a tool to aid imaging agent and drug development, we aimed at accelerating the acceptance and broad use of PBPK modeling by providing a free mechanistic PBPK software that is user friendly, easy to adapt to a wide range of problems even by non-programmers, provided with ready-to-use parameterized models and benchmarking data collected from the peer-reviewed literature

Nicotine patch preloading for smoking cessation (the preloading trial): study protocol for a randomized controlled trial

Background: The use of nicotine replacement therapy before quitting smoking is called nicotine preloading. Standard smoking cessation protocols suggest commencing nicotine replacement therapy only on the first day of quitting smoking (quit day) aiming to reduce withdrawal symptoms and craving. However, other, more successful smoking cessation pharmacotherapies are used prior to the quit day as well as after. Nicotine preloading could improve quit rates by reducing satisfaction from smoking prior to quitting and breaking the association between smoking and reward. A systematic literature review suggests that evidence for the effectiveness of preloading is inconclusive and further trials are needed. Methods/Design: This is a study protocol for a multicenter, non-blinded, randomized controlled trial based in the United Kingdom, enrolling 1786 smokers who want to quit, funded by the National Institute for Health Research, Health Technology Assessment program, and sponsored by the University of Oxford. Participants will primarily be recruited through general practices and smoking cessation clinics, and randomized (1:1) either to use 21 mg nicotine patches, or not, for four weeks before quitting, whilst smoking as normal. All participants will be referred to receive standard smoking cessation service support. Follow-ups will take place at one week, four weeks, six months and 12 months after quit day. The primary outcome will be prolonged, biochemically verified six-month abstinence. Additional outcomes will include point prevalence abstinence and abstinence of four-week and 12-month duration, side effects, costs of treatment, and markers of potential mediators and moderators of the preloading effect. Discussion: This large trial will add substantially to evidence on the effectiveness of nicotine preloading, but also on its cost effectiveness and potential mediators, which have not been investigated in detail previously. A range of recruitment strategies have been considered to try and compensate for any challenges encountered in recruiting the large sample, and the multicentre design means that knowledge can be shared between recruitment teams. The pragmatic study design means that results will give a realistic estimate of the success of the intervention if it were to be rolled out as part of standard smoking cessation service practice. Trial registration: Current Controlled Trials ISRCTN33031001. Registered 27 April 2012