A computer-based numerical model is presented, in which hydration and micro-structural development in Portland cement-based materials can be simulated. In the proposed model, kinetic of mineral component in cement is determined explicitly, and specific heat of hydration product and unhydrated cement is taken into account to precisely simulate adiabatic temperature rise in concrete. Firstly, the specific heat is measured for unhydrated cement as well as cement paste composed of hydration product. Based on the results of degree of hydration determined by the amount of combined water, the specific heat of hydration product is calculated. Secondly, the Computational Cement Based Material model (CCBM) is improved so that it can take into account the effect of composition of mineral component in cement explicitly. Comparing the simulation results with the experimental results of adiabatic temperature rise, the proposed hydration model shows preferable predictions.