Error induced by neglecting subgrid chemical segregation due to inefficient turbulent mixing in regional chemical-transport models in urban environments

We employed direct numerical simulations to estimate the error on chemical calculation in simulations with regional chemical-transport models induced by neglecting subgrid chemical segregation due to inefficient turbulent mixing in an urban boundary layer with strong and heterogeneously distributed surface emissions. In simulations of initially segregated reactive species with an entrainment-emission configuration with an A–B–C second-order chemical scheme, urban surface emission fluxes of the homogeneously emitted tracer A result in a very large segregation between the tracers and hence a very large overestimation of the effective chemical reaction rate in a complete-mixing model. This large effect can be indicated by a large Damköhler number (Da) of the limiting reactant. With heterogeneous surface emissions of the two reactants, the resultant normalised boundary-layer-averaged effective chemical reaction rate is found to be in a Gaussian function of Da, and it is increasingly overestimated by the imposed rate with an increased horizontal scale of emission heterogeneity. Coarse-grid models with resolutions commensurable to regional models give reduced yet still significant errors for all simulations with homogeneous emissions. Such model improvement is more sensitive to the increased vertical resolution. However, such improvement cannot be seen for simulations with heterogeneous emissions when the horizontal resolution of the model cannot resolve emission heterogeneity. This work highlights particular conditions in which the ability to resolve chemical segregation is especially important when modelling urban environments.

Investigating the effect of matrix acidizing injection pressure on carbonate-rich Marcellus shale core samples: an experimental study

Near-wellbore damage, which significantly reduces hydrocarbon production, can happen during drilling, cementing, perforation, completion, and stimulation operations. The most common technique to remove or bypass this damage is matrix acidizing. The effects of matrix acidizing injection pressure on acid penetration rate, chemical reaction rate, solubility, porosity, and permeability of Marcellus core samples were investigated in this experimental study. To achieve a successful acid treatment, acid type and concentration must be carefully selected. The results of the X-ray powder diffraction (XRD) and the solubility test revealed that 15 wt.% hydrochloric acid (HCl) is the optimum acid. Matrix acidizing treatments were implemented on nine core samples, taken from Marcellus (shale gas reservoir), at the reservoir temperature (66 °C), confining pressure of 10.35 MPa, and three different acid injection pressures (1.72, 3.45, and 5.17 MPa). The results showed that performing acid treatments on the samples containing continuous carbonate layers created highly permeable channels (wormholes) resulting in significant improvement, up to 3900%, in the permeability of the samples. Additionally, the results of the acid penetration rate, chemical reaction rate, solubility, porosity, and permeability revealed that increasing the acid injection pressure resulted in increases in the aforementioned properties of the samples. The results also revealed that any increase in the injection pressure above 3.45 MPa did not demonstrate any significant enhancements in the properties of the samples. The results of the XRD analysis revealed that matrix-acidizing treatments dissolved 23.2% of calcite and 0.4% of dolomite existed in the samples.

Error induced by neglecting subgrid chemical segregation due to inefficient turbulent mixing in regional chemical-transport models in urban environments

We employed direct numerical simulations to estimate the error on chemical calculation in simulations with regional chemical-transport models induced by neglecting subgrid chemical segregation due to inefficient turbulent mixing in an urban boundary layer with strong and heterogeneously-distributed surface emissions. In simulations of initially-segregated reactive species with an entrainment-emission configuration with an A–B–C second-order chemical scheme, urban surface emission fluxes of the homogeneously-emitted Tracer A result in a very large segregation between the tracers and hence a very large overestimation of the effective chemical reaction rate in a complete-mixing model. This large effect can be indicated by a large Damköhler number (Da) of the limiting reactant. With heterogeneous surface emissions of the two reactants, the resultant normalised boundary layer-averaged effective chemical reaction rate is found to be in a Gaussian function of Da, and is increasingly overestimated by the imposed rate with an increased horizontal scale of emission heterogeneity. Coarse-grid models with resolutions commensurable to regional models give reduced yet still significant errors for all simulations with homogeneous emissions. Such model improvement is more sensitive to the increased vertical resolution. However, such improvement cannot be seen for simulations with heterogeneous emissions when the horizontal resolution of the model cannot resolve emission heterogeneity. This work highlights particular conditions in which the ability to resolve chemical segregation is especially important when modelling urban environments.