Research version of the Texas A&M Oil spill / Outfall Calculator (TAMOC) and input files for simulation of laboratory pressure vessel experiments

This version of the Texas A&M Oil spill / Outfall Calculator (TAMOC) was modified from the TAMOC version available under GRIIDC Unique Dataset Identifier (UDI): R1.x138.077:0028 (DOI: 10.7266/N7DF6P8R) in order to enable simulations of the laboratory experiments involving a fixed volume of recirculated water. This version of TAMOC includes aqueous dissolution, slip velocities of fluid particles, enable two-phase fluid particles, and simulates the build-up of aqueously-dissolved chemical species in the experimental device water and its effect on mass transfer rate. Properties of fluid particles are updated in the model as a function of local pressure, temperature, and composition. These files model the fate of the different petroleum compounds using 23 chemical (pseudo-)components. The input files/simulations are parameterized based on experimental data by Pesch and Schlüter available at GRIIDC under UDI: R4.x267.000:0050 (DOI: 10.7266/N79885GB), also described in a scientific publication Pesch et al. (2018). The dataset contains source code, input files, and model output. This dataset supports the publication: Gros, J., Arey, J. S., Socolofsky, S. A., & Dissanayake, A. L. (2020). Dynamics of Live Oil Droplets and Natural Gas Bubbles in Deep Water. Environmental Science & Technology. doi:10.1021/acs.est.9b06242.