Integrated computational assessment of concrete properties, durability, and environmental impacts

Due to the vast landscape of low carbon concretes that have been or can be developed, traditional empirical methods are impractical for comprehensive assessment of concrete performance. Here, we describe Panoramix 1.0, a Python-based tool that can predict physical and chemical properties of hydrated cements, and durability and environmental impacts of concretes. Applying it to CEM I concrete as a case study, we investigate the cement composition effects on the freeze–thaw resistance indicator (time to critical saturation degree, t_CR). Results indicate that chemical composition of raw materials including Fe₂O₃ may influence freeze–thaw resistance, which is usually not considered in the current scheme of durability assessment. The results also show how the design space (i.e., feasible cement compositions) could be found for different types of concrete at specified minimum freeze–thaw resistance. We validate Panoramix by comparing its ranking of 28 concrete samples in terms of freeze–thaw performance (t_CR) with experimental data for relative dynamic modulus of elasticity (RDME) reported in ten publications and measured using procedures from four different standards. By combining the composition-freeze–thaw resistance modelling with a life cycle assessment model, we show that the climate change impact (100-year global warming potential) per m³ CEM I concrete can be reduced from 313 to 286 kg CO₂-eq. by decreasing the clinker-to-cement ratio while reducing t_CR from 7 to 5.5 years.