Vahid Jafari Azad

A COMSOL-GEMS interface for modeling coupled reactive-transport geochemical processes

An interface was developed between COMSOL MultiphysicsTM finite element analysis software and (geo)chemical modeling platform, GEMS, for the reactive-transport modeling of (geo)chemical processes in variably saturated porous media. The two standalone software packages are managed from the interface that uses a non-iterative operator splitting technique to couple the transport (COMSOL) and reaction (GEMS) processes. The interface allows modeling media with complex chemistry (e.g. cement) using GEMS thermodynamic database formats. Benchmark comparisons show that the developed interface can be used to predict a variety of reactive-transport processes accurately. The full functionality of the interface was demonstrated to model transport processes, governed by extended Nernst-Plank equation, in Class H Portland cement samples in high pressure and temperature autoclaves simulating systems that are used to store captured carbon dioxide (CO2) in geological reservoirs. An interface was developed between COMSOL and GEMS.Noniterative operator splitting was used to couple transport and reaction processes.Coupled reactive-transport processes in media with complex chemistry can be modeled.Applications include modeling cementitious systems.

Use of Fly Ash to Minimize Deicing Salt Damage in Concrete Pavements

Premature damage has been observed at the joints in numerous concrete pavements where calcium chloride and magnesium chloride deicing salts have been used. This damage results from a reaction between the deicing salt and the calcium hydroxide (CH) in the hydrated cement paste. This reaction leads to the formation of an expansive product known as calcium oxychloride (CAOXY). The use of supplementary cementitious materials as a replacement for cement has been proposed to reduce the CH that is available in the mixture to react with the deicing salts. Reducing the CH can reduce the amount of CAOXY that forms. In this study, mixtures representative of paving concrete were made with cements and fly ashes from across the country. CH amounts were determined by using thermogravimetric analysis, and CAOXY amounts were determined by using low-temperature differential scanning calorimetry. Various replacement levels of fly ash were used to demonstrate that the main parameter that influences the amounts of CH and CAOXY that form is the replacement level of fly ash. This paper proposes that a prescriptive specification requiring 35% cement replacement by volume with fly ash would reduce the damage caused by CAOXY formation and further proposes a performance specification to limit the CAOXY formation to below 15 g/100 g paste.

Mitigation of Calcium Oxychloride Formation in Cement Pastes Using Undensified Silica Fume

AbstractCertain chloride-based deicing salts can react with calcium hydroxide in cement paste to form calcium oxychloride. Calcium oxychloride formation results in expansive pressures that damage c...