Assessing the ecological impacts of polycyclic aromatic hydrocarbons petroleum pollutants using a network toxicity model.

Polycyclic aromatic hydrocarbons (PAHs) are significant petroleum pollutants that have long-term impacts on human health and ecosystems. However, assessing their toxicity presents challenges due to factors such as cost, time, and the need for comprehensive multi-component analysis methods. In this study, we utilized network toxicity models, enrichment analysis, and molecular docking to analyze the toxicity mechanisms of PAHs at different levels: compounds, target genes, pathways, and species. Additionally, we used the maximum acceptable concentration (MAC) value and risk quotient (RQ) as an indicator for the potential ecological risk assessment of PAHs. The results showed that higher molecular weight PAHs had increased lipophilicity and higher toxicity. Benzo[a]pyrene and Fluoranthene were identified as core compounds, which increased the risk of cancer by affecting core target genes such as CCND1 in the human body, thereby influencing signal transduction and the immune system. In terms of biological species, PAHs had a greater toxic impact on aquatic organisms compared to terrestrial organisms. High molecular weight PAHs had lower effective concentrations on biological species, and the ecological risk was higher in the Yellow River Delta region. This research highlights the potential application of network toxicity models in understanding the toxicity mechanisms and species toxicity of PAHs and provides valuable insights for monitoring, prevention, and ecological risk assessment of these pollutants.

Coupling effect of critical properties shift and capillary pressure on confined fluids: A simulation study in tight reservoirs.

Critical properties shift and large capillary pressure are important contributors for the phase behavior altering of nanopore fluid. However, the effects of critical properties shift and large capillary pressure on the phase behavior are ignored in traditional compositional simulators, leading to inaccurate evaluation results of tight reservoirs. In this study, phase behavior and production of confined fluid in nanopores are studied. First, we developed a method for coupling the effect of critical properties shift and capillary pressure into the vapor-liquid equilibrium calculation base on Peng-Robinson equation of state. Second, a novel fully compositional numerical simulation algorithm considering effect of critical properties shift and capillary pressure on phase behavior is accomplished. Third, we have discussed the alterations of critical properties shift effect, capillary pressure effect and coupling effect on the composition of oil and gas production in detail. The critical properties shift and capillary pressure effects on oil and gas production in tight reservoirs are analyzed quantitatively through four cases, and the influences of the two effects in oil/gas production are compared. Based on the fully compositional numerical simulation, the simulator can rigorously simulate the impacts of component changes during production. The simulation results show that both the critical properties shift effect and the capillary pressure effect reduce the bubble point pressure of Changqing shale oil, and the influence are more prevalent in pores of smaller radius. In pores is larger than 50 nm, the phase behavior altering of the fluid can be ignored. In addition, we devised four cases to comprehensively investigate the effects of critical properties shift and large capillary pressure on production performance of tight reservoirs. The comparisons between the four cases show that the capillary pressure effect impacts the reservoir production performances greater than the critical properties shift effect, such as higher oil production, higher GOR, and lower content of lighter component and higher content of heavier component in the residual oil/gas. The results of coupling effects indicate that the critical properties shift effect would suppress the effect of the capillary pressure effect. In particular, the difference between the simulation results of the coupling effects and the base case is smaller than that between the simulation results of the capillary pressure effect and the base case.

A novel method for calculating the dynamic capillary force and correcting the pressure error in micro-tube experiment.

Micro-tube experiment has been implemented to understand the mechanisms of governing microcosmic fluid percolation and is extensively used in both fields of micro electromechanical engineering and petroleum engineering. The measured pressure difference across the microtube is not equal to the actual pressure difference across the microtube. Taking into account the additional pressure losses between the outlet of the micro tube and the outlet of the entire setup, we propose a new method for predicting the dynamic capillary pressure using the Level-set method. We first demonstrate it is a reliable method for describing microscopic flow by comparing the micro-model flow-test results against the predicted results using the Level-set method. In the proposed approach, Level-set method is applied to predict the pressure distribution along the microtube when the fluids flow along the microtube at a given flow rate; the microtube used in the calculation has the same size as the one used in the experiment. From the simulation results, the pressure difference across a curved interface (i.e., dynamic capillary pressure) can be directly obtained. We also show that dynamic capillary force should be properly evaluated in the micro-tube experiment in order to obtain the actual pressure difference across the microtube.