A 3D reactive transport model for simulation of the chemical reaction process of ASR at microscale

A 3D reactive transport model at microscale is proposed for simulating the chemical reaction process of alkali silica reaction (ASR) thermodynamically and kinetically including the dissolution of reactive silica, the nucleation and growth of ASR products and the dissolution of calcium hydroxide (CH) and calcium silicate hydrate (C-S-H) as a...

3d microstructure simulation of reactive aggregate in concrete from 2d images as the basis for asr simulation

The microstructure of alkali-reactive aggregates, especially the spatial distribution of the pore and reactive silica phase, plays a significant role in the process of the alkali silica reaction (ASR) in concrete, as it determines not only the reaction front of ASR but also the localization of the produced expansive product from where the...

Insights in the chemical fundamentals of ASR and the role of calcium in the early stage based on a 3D reactive transport model

Prediction of alkali silica reaction is still difficult due to the lack of a comprehensive understanding of its chemical fundamentals. In-site experimentally revealing the fundamentals is not realistic as ASR shows over several years or even decades and is affected by many factors. In this paper, by utilizing a 3D reactive-transport...

Substrate-Specific Evolution of Amine Dehydrogenases for Accessing Structurally Diverse Enantiopure (R)-β-Amino Alcohols

The biocatalytic oxidative deamination of β-amino alcohols holds significant practical potential in kinetic resolution and/or deracemization process to access (R)-β-amino alcohols. This study exemplifies a notable instance of acquisition and utilization of this valuable oxidative deamination activity. Initially, the mutation N261M (M0) was...

ASR: Insights into the cracking process via lattice fracture simulation at mesoscale based on the chemical reactions at microscale

In our former paper, based on a published 3D reactive transport model at microscale with the capability of simulating the chemical reactions involved in ASR, the location of expansive ASR gel related to the reactivity of aggregate, temperature, aggregate porosity and silica content in aggregate, is clarified. Based on the simulation results,...

Modeling Spatial Contacts for Epidemic Prediction in a Large-Scale Artificial City

Spatial contacts among human beings are considered as one of the influential factors during the transmission of contagious diseases, such as influenza and tuberculosis. Therefore, representing and understanding spatial contacts plays an important role in epidemic modeling research. However, most current research only considers regular spatial...

Playing chemical plant environmental protection games with historical monitoring data

The chemical industry is very important for the world economy and this industrial sector represents a substantial income source for developing countries. However, existing regulations on controlling atmospheric pollutants, and the enforcement of these regulations, often are insufficient in such countries. As a result, the deterioration of...

An Extended Chemical Plant Environmental Protection Game on Addressing Uncertainties of Human Adversaries

Chemical production activities in industrial districts pose great threats to the surroundingatmospheric environment and human health. Therefore, developing appropriate and intelligentpollution controlling strategies for the management team to monitor chemical production processesis significantly essential in a chemical industrial district....

Data-driven hazardous gas dispersion modeling using the integration of particle filtering and error propagation detection

The accurate prediction of hazardous gas dispersion process is essential to air quality monitoring and the emergency management of contaminant gas leakage incidents in a chemical cluster. Conventional Gaussian-based dispersion models can seldom give accurate predictions due to inaccurate input parameters and the computational errors. In order...

A data-driven approach for optimal design of integrated air quality monitoring network in a chemical cluster

The chemical industry is of paramount importance to the world economy and this industrial sector represents a substantial income source for developing countries. However, the chemical plants producing inside an industrial district pose a great threat to the surrounding atmospheric environment and human health. Therefore, designing an...

Comparison of Machine Learning Models for Hazardous Gas Dispersion Prediction in Field Cases

Dispersion prediction plays a significant role in the management and emergency response to hazardous gas emissions and accidental leaks. Compared with conventional atmospheric dispersion models, machine leaning (ML) models have both high accuracy and efficiency in terms of prediction, especially in field cases. However, selection of model...

Hazardous Source Estimation Using an Artificial Neural Network, Particle Swarm Optimization and a Simulated Annealing Algorithm

Locating and quantifying the emission source plays a significant role in the emergency management of hazardous gas leak accidents. Due to the lack of a desirable atmospheric dispersion model, current source estimation algorithms cannot meet the requirements of both accuracy and efficiency. In addition, the original optimization algorithm can...

Modelling of microstructure of asr influenced cement-based materials

ASR (alkali-silica reaction) is one of the toughest durability problems in engineering. However, the damage induced by ASR is still fairly unpredictable due to the lack of microstructural information of cement-based materials affected by ASR, while the microstructure determines the global performance. In order to fill this gap, a multiscale...