Mass Balance Research Articles

Preventing mass loss in the standard level set method: New insights from variational analyses

For decades, the computational multiphase flow community has grappled with mass loss in the level set method. Numerous solutions have been proposed, from fixing the reinitialization step to combining the level set method with other conservative schemes. However, our work reveals a more fundamental culprit: the smooth Heaviside and delta functions inherent to the standard formulation. Even if reinitialization is done exactly, i.e., the zero contour interface remains stationary, the use of smooth functions lead to violation of mass conservation. We propose a novel approach using variational analysis to incorporate a mass conservation constraint. This introduces a Lagrange multiplier that enforces overall mass balance. Notably, as the delta function sharpens, i.e., approaches the Dirac delta limit, the Lagrange multiplier approaches zero. However, the exact Lagrange multiplier method disrupts the signed distance property of the level set function. This motivates us to develop an approximate version of the Lagrange multiplier that preserves both overall mass and signed distance property of the level set function. Our framework even recovers existing mass-conserving level set methods, revealing some inconsistencies in prior analyses. We extend this approach to three-phase flows for fluid-structure interaction (FSI) simulations. We present variational equations in both immersed and non-immersed forms, demonstrating the convergence of the former formulation to the latter when the body delta function sharpens. Rigorous test problems confirm that the FSI dynamics produced by our simple, easy-to-implement immersed formulation with the approximate Lagrange multiplier method are accurate and match state-of-the-art solvers.

Tire and road wear particles in infiltration pond sediments: Occurrence, spatial distribution, size fractionation and correlation with metals

Stormwater systems, such as infiltration ponds or basins, play a critical role in managing runoff water and reducing particulate pollution loads in downstream environments through decantation. Road runoff carries several pollutants, including trace metals and tire and road wear particles (TRWP). To improve our understanding of infiltration ponds as regards TRWP and their capacity to reduce TRWP loads, we have studied the occurrence, spatial distribution and size distribution of TRWP, as well as their relationship with metals, in considering the input of metals as tire additives, in the sediments of an infiltration pond located along the Nantes urban ring road (Western France), which happens to be a high-traffic roadway site. The sediment was analyzed using pyrolysis coupled with gas chromatography–mass spectrometry to determine the polymeric content of tires, specifically in quantifying the styrene-butadiene rubber (SBR) and butadiene rubber (BR) pyrolytic markers. By applying an SBR + BR-to-TRWP conversion factor, the results showed significant TRWP contamination, up to 65 mg/g, with a spatial enrichment from the entrance to the overflow section of the pond. Size fractionation revealed a bimodal distribution, indicating two distinct types of TRWP. The first type is characterized by small diameters (63–160 μm), suggesting the presence of TRWP less integrated with mineral and organic particles. The second type, characterized by larger diameters (200–500 μm), suggests a more pronounced integration with these same mineral and organic particles. A significant positive correlation between TRWP and metals (As, Cd, Cr, Cu, Li, Mo, Ni, Sb, V, Zn) was found (r > 0.739, p < 0.05). This correlation implies that TRWP and/or their associated phases may act as an indicator of metal contamination in the pond sediments. Lastly, a mass balance between TRWP inputs and the amount retained in the sediments underscores the role of infiltration ponds as “sinks” for TRWP.

Decoupling method of self-gravity compensation based on spherical multipole expansion for space gravitational wave detectors

In space gravitational wave detection missions, the gravity and its gradients produced by the spacecraft on the two Test Masses (TMs) are commonly referred to as the Self-Gravity(SG). It is an important source of TM disturbances in gravitational wave detection and other drag-free space missions and will affect the TM acceleration noise in many ways. The SG can be reduced by adding Balance Masses (BMs). But for typical space gravitational wave detectors, in which the sensitive axes of the two TMs are at an angle of 60°, the couplings of different SG components of two TMs make the gravity compensation process complicated in practice, which is normally an iterative process. This paper analyses the correspondence between the SG components of the two TMs and the spherical harmonics of different orders, and proposes a compensation method based on spherical multipole expansion. This method allows independent design of the BMs for most of the main SG components, without couplings and iterations. To verify this method, a self-gravity compensation simulation is carried out by using a demonstrating spacecraft structural model for TianQin gravitational wave detection mission. Three sets of BMs are designed on the outer surface of the inertial sensor vacuum chamber, to compensate for the two linear accelerations and one linear gradient that exceed the requirements. The results show that the SG components after compensation are two orders of magnitude lower than the initial level, and all the components meet the preliminary requirements of TianQin mission. This study could provide reference for the engineering design and development of the spacecraft and inertial sensor payload for space gravitational wave detection missions.

Dynamic Thermomechanical Modeling of Rock‐Ice Avalanches: Understanding Flow Transitions, Water Dynamics, and Uncertainties

AbstractThe rapid melting of glaciers and thawing of permafrost in mountainous regions have heightened the danger of rock‐ice avalanches. These avalanches pose a severe threat due to their potential to transform into water‐saturated debris flows. The catastrophic event in Chamoli, India, on 7 February 2021, illustrates the devastating consequences of such processes. Developing a model capable of predicting the dynamics and extent of these events is imperative for natural hazard science and disaster mitigation. In response, we propose a depth‐averaged rock‐ice avalanche model encompassing four distinct materials: rock, ice, snow, and water. The model integrates crucial physical processes, including frictional heating, phase changes, ground material entrainment, and air‐blast hazards. Through a system of mass and momentum balance equations extended with grain flow and internal energy equations, the model captures heat exchanges and resulting phase changes as the fragmented material flows. Focusing on identifying the primary water source in the flow and testing the model on the 2021 Chamoli event, we quantify water's influence on flow dynamics and regime transitions. However, uncertainties persist in heat transfer physics and quantifying the hydro‐meteorological state of the flow path. Our thermo‐mechanical model enables the simulation of complex avalanches and identifies key flow transitions: powder cloud formation and potential debris flow transformation. The study underscores the pivotal role of water in avalanche dynamics and the challenge of accurately quantifying water content within the flow, necessitating comprehensive ground assessments for effective disaster management.

Coating flow of a liquid film with colloidal particles on a vertical fiber

A thin liquid film of colloidal suspension is considered which is spreading down on a vertical cylinder under the effect of gravity. A precursor film model is employed at the three-phase contact line to relieve the stress singularity. The curvature pressure leads to the formation of a capillary ridge at the contact-line. Bulk and surface colloids are assumed to be present in the liquid film. The interfacial pattern is governed by the film evolution equation, obtained by simplifying mass and momentum balance equations within the lubrication assumption, while rapid vertical diffusion is assumed for the advection–diffusion equation of the bulk concentration. Fluid viscosity and diffusivity are considered to be functions of the particle volume fraction. The effects of the bulk and surface colloids on the spreading film dynamics are systematically studied. The presence of bulk colloids leads to the thinning of the capillary ridge for smaller inlet bulk colloid concentrations. On the other hand, a larger inlet bulk concentration leads to the formation of a secondary advancing front behind the capillary ridge in the film profile. A reduced contact point velocity is observed with an increase in the upstream bulk concentration. Surface concentration is found to result in a hump-like structure behind the capillary ridge in the upstream direction due to solutal Marangoni stress. The Marangoni stress also hinders the surface-tension-driven spreading, resulting in a smaller contact line velocity. Reducing the Bond number results in unstable film profiles, which lead to a wave-like structure in the region with no bulk concentration gradients.

Exploring the Impact of Temperature and Solvent Ratio on Phenol and Flavonoid Levels in Alpinia galangal L. Extract Using Evaporative Vacuum Cooling

The objective of this research is to determine the impact of temperature gradients and solvent ratios in the evaporative vacuum cooling method on the yield of phenol and flavonoid content in galangal extract; ascertain the impact of these factors on the yield generated by galangal extract; and ascertain the mass balance analysis of materials are the objectives of this study. Throughout the extraction of galangal. The study's findings demonstrated that the evaporative vacuum cooling technique, conducted at 49 ºC and with a 1:1 solvent ratio of 1.4432±0.7317 mg GAE/g, produced the highest total phenol concentration. The three differences in the temperature of the evaporative vacuum produced the total phenol content cooling. The overall phenol content obtained decreases with increasing solvent ratio addition. Although the evaporative vacuum cooling treatment at 45 °C yielded the highest total flavonoid content (1.2418±0.2365 mg QE/g) at a 1:2 solvent ratio, the total flavonoid content varied between the three evaporative vacuum cooling temperature variations. The yield of total phenolic and flavonoid compounds was not significantly affected by temperature gradient adjustments or the ratio of galangal extract to solvent (Sig. &gt; 0.05) in any of the data samples pertaining to phenolic and flavonoid compounds. Keywords: Evaporative vacuum cooling, Flavonoids, Galangal, Phenol.

Unexpected increase in microalgal removal of doxylamine induced by bicarbonate addition: synergistic chem-/bio-degradation mechanisms

Microalgae-based approaches serves as promising methods for remediation of pharmaceutical contaminants (PCs) compare to conventional wastewater treatment processes. However, how to decrease hydraulic retention times of the microalgal system currently has been one of the main bottlenecks. This study constructed an unexpected synergistic extra-chem-/intra-bio-degradation system by addition of 5.95 mM bicarbonate in the microalgal system, which achieved complete removal (100%) of a representative PC, doxylamine (DOX) in 96 h compare to that 192 h in the control. Removal capacities and mass balance analyses demonstrated that biodegradation rate per unit microalgal density was significantly increased by 207%. Further analyses using transcriptomic, enzymatic inhibitory test, and high-resolution mass spectrometry revealed that after addition of bicarbonate for metabolism of DOX, a hydrolase (CYP97C1) and a primary amine oxidase (TynA) can catalyze DOX into doxylamine N-oxide and an intermediate (C15H17NO2) with a m/z of 244.1335. Meanwhile, bicarbonate reacted with microalgae-excreted hydrogen peroxide to form more oxidative radicals including superoxide and hydroxyl radicals extracellularly, which promised the extracellular degradation of DOX according to the oxidative radical inhibiting tests. Further investigation showed addition of bicarbonate in microalgal system improved the removal rate of 17 PCs by up to 500.8%. Therefore, this study not only developed an approach to enhance treatment efficiencies of diverse PCs by microalgae within a shorter time, but also carried unique mechanistic insights into the underlying principles.

Estimation of gas diffusion coefficient for gas/oil-saturated porous media systems by use of early-time pressure-decay data: An experimental/numerical approach

This paper presented a novel numerical method for estimating the gas diffusion coefficient based on the early-time pressure-decay data. Experimentally, “flooding–soaking” procedures were developed to perform the gas diffusion in an oil-saturated tight core under different gas phase volume conditions. After flooding, the capillary bundle model was used to calculate the oil–gas contact area. The early-time pressure-decay data of the gas phase were monitored and recorded during the soaking process. Theoretically, a non-equilibrium inner boundary condition coupled with the characteristics of experimental early-time pressure had been incorporated to develop a diffusion model for a gas/oil-saturated tight core system. Based on gas-phase mass balance equations and gas equation of state, the diffusion coefficients were optimized once the discrepancy between experimental data and numerical solutions was minimized. According to the estimated results in this study, the CH4 diffusion coefficients were 3.74 × 10−11 and 3.86 × 10−11 m2/s in tight core saturated with crude oil, respectively. Moreover, the oil–gas contact area significantly impacts the diffusion flux in oil-saturated porous media. Specifically, an additional 10% contact area results in a 75% increase in CH4 diffusion mass. In addition, with the application of our proposed model to CH4/bitumen and CO2/bitumen systems, the diffusion coefficients were in close agreement with the results reported in previous literature, indicating that the proposed model was applicable to both gas/liquid and gas/liquid-saturated porous media systems.

Projected evolution of the Qiyi Glacier in the Qilian Mountains using the PyGEM with the calibration of glaciological mass balance

Owing to glacial retreat and associated future runoff variations, major concerns have been raised over the sustainability of water resources in the Qilian Mountains. Based on the Python Glacier Evolution Model, we present projections of the Qiyi glacier for shared socioeconomic pathways (SSPs) calibrated with the glaciological mass balance. The results indicate the air temperature as the dominant factor in the continuous mass loss of the Qiyi Glacier in the future. Glacier area and volume are projected to decline to 0.16 ± 0.11 km2 (6.4% ± 4.4%, relative to 2015) and 0.0023 ± 0.0006 km³ (2.1% ± 1.5%, relative to 2015), respectively, by 2100, for SSP1-2.6. For SSP5-8.5, the glacier will disappear by 2088. The mass loss of the Qiyi Glacier will accelerate before 2050 for all SSPs but will decelerate after 2050 for SSP1-2.6 and SSP2-4.5. The peak water of glacier runoff will occur between 2034 and 2045, with the duration of high water from 7 to 18 years. Thereafter, the runoff will rapidly decline till 2070–2080 and remain low afterward. Compared with the existing projections, the present projections indicate that the Qiyi Glacier will experience more drastic shrinkage and ice loss in the coming decades. Finally, the glacier runoff is expected to reach its peak water earlier with a shorter duration of high water.

Isotope Evidence for Rice Accumulation of Newly Deposited and Soil Legacy Cadmium: A Three-Year Field Study.

Biogeochemical processes of atmospherically deposited cadmium (Cd) in soils and accumulation in rice were investigated through a three-year fully factorial atmospheric exposure experiment using Cd stable isotopes and diffusive gradients in thin films (DGT). Our results showed that approximately 37-79% of Cd in rice grains was contributed by atmospheric deposition through root and foliar uptake during the rice growing season, while the deposited Cd accounted for a small proportion of the soil pools. The highly bioavailable metals in atmospheric deposition significantly increased the soil DGT-measured bioavailable fraction; yet, this fraction rapidly aged following a first-order exponential decay model, leading to similar percentages of the bioavailable fraction in soils exposed for 1-3 years. The enrichment of light Cd isotopes in the atmospheric deposition resulted in a significant shift toward lighter Cd isotopes in rice plants. Using a modified isotopic mass balance model, foliar and root uptake of deposited Cd accounted for 47-51% and 28-36% in leaves, 41-45% and 22-30% in stems, and 45-49% and 26-30% in grains, respectively. The implications of this study are that new atmospheric deposition disproportionately contributes to the uptake of Cd in rice, and managing emissions thus becomes very important versus remediation of impacted soils.

Assessing the impact of artificial geotextile covers on glacier mass balance and energy fluxes

Assessing the impact of artificial geotextile covers on glacier mass balance and energy fluxes

Novel ternary deep eutectic solvents pretreatment of corn stalk to realize high-value utilization

The high-valued utilization of biomass components through pretreatment technology can effectively alleviate the pressure of energy and environment. In this study, a ternary deep eutectic solvent (TDES) was prepared by using glycolic acid (GA) and ethylene glycol (EG) as double hydrogen donors and benzyl trimethyl ammonium chloride (TMBAC) as hydrogen acceptor. The corn stalk was separated by TDES to obtain cellulose-rich solid residue and low-condensed lignin. Moreover, the solid residue was converted into bio-oil by rapid pyrolysis, and the low-condensed lignin was converted into fluorescent lignin by grafting luminol for information encryption. The results showed that under the pretreatment condition of 150℃ for 3 h, TDES with the molar ratio of 1:1:2 had a lignin removal ratio of 90.60 %, and the yield of levoglucosan obtained from solid residue pyrolysis bio-oil reached 36.38 %. Furthermore, TDES prevented lignin from forming a C-C polycondensation structure and endowed it with polyhydroxy properties, which was beneficial to graft luminolto enhance the fluorescence intensity efficiently. The high-intensity fluorescent grafted lignin was used for information encryption of various materials. The mechanism of TDES pretreatment and luminol grafting were explored, and the mass balance of corn stalk during pretreatment was described. This study provides a green, environmentally friendly, and efficient pretreatment process for the high-value utilization of biomass.

Sulfur and metal mobilization during the life cycle of an oceanic core complex: Implications for seafloor massive sulfide deposits formation at slow and ultra-slow spreading ridges

Seafloor massive sulfide (SMS) deposits at slow and ultra-slow spreading ridges are often spatially related to, or hosted in oceanic core complexes (OCCs). The specific oceanic crust architecture, magmatism, hydrothermal fluid circulation and lithologies at OCCs, however, imply different S and metal (e.g. Cu, Zn, Co, Ni) fluxes relative to well-structured oceanic crust at-fast spreading ridges and which are not yet fully constrained. The study of S and metal distribution in the ODP Hole 735B deep drill core from the Atlantis bank allows to understand these fluxes along detachment faults and to better constrain the source zone of S and metals for OCC-related SMS deposits. Significant depletion of S, Cu, Zn and Ni are observed within the upper 250 m of the drill core where intense deformation and hydrothermal fluid circulation occurred. During the complex tectono-magmatic-hydrothermal evolution of the Atlantis Bank, four important stages are recognized for S and metal mobilization: 1) magmatic stratification leading to a higher proportion of sulfide-rich and S, Cu, Zn and Co fertile oxide gabbros in the root zone of the Atlantis Bank detachment, 2) high temperature ductile deformation leading to magmatic sulfide reworking and onset of sulfide leaching with limited metal mobilization, 3) extensive sulfide leaching and metal mobilization during amphibolite to greenschist facies metasomatism and, 4) late stage secondary sulfide precipitation and S enrichment during low temperature fluid circulation. Mass balance calculations from the source zones of the Atlantis Bank detachment highlights that metal mobilization during hydrothermal alteration of gabbroic rocks along detachment faults can fully account for the formation of OCC-related SMS deposits at slow and ultraslow spreading ridges. The Atlantis Bank detachment system, however, is gabbroic-dominated and represent the magmatic end-member of OCCs and further work is necessary for understanding metal fluxes in ultramafic-dominated detachment systems.

Seasonal Dynamics of Methane Fluxes from Groundwater to Lakes:Hydrological and Biogeochemical Controls

Methane (CH4) inputs to lakes through lacustrine groundwater discharge (LGD-derived CH4) represent a potentially important but often overlooked source of lake methane emissions. Although great efforts have been made to quantify LGD-derived CH4 fluxes and their spatial variablity, the underlying mechanisms controlling seasonal LGD-derived CH4 fluxes and their influence on lake CH4 emissions remain poorly understood, particularly in humid inland areas. To address this gap, we applied the 222Rn mass balance model, as well as hydrological, isotopic and microbial methods to assess seasonal LGD-derived CH4 fluxes and their influence on the seasonal variability of lake methane emissions in a typical oxbow lake, central Yangtze River. The results revealed wide seasonal differences in LGD-derived CH4 fluxes, which were controlled by hydrological and biogeochemical processes. During the dry season, although more intense methane oxidation and weaker methanogenesis occurred in groundwater, the much higher LGD rate (51.71 mm/d) produced a higher LGD-derived CH4 flux (16.41 mmol/m2/d). During the wet season, methanogenesis was more active and methane oxidation was weaker, but a lower LGD rate (12.16 mm/d) led to a lower LGD-derived CH4 flux (5.33 mmol/m2/d). Furthermore, higher LGD-derived CH4 flux in the dry season resulted in higher CH4 emissions from the lake and diminished the extent of methane oxidation in the lake. In comparison to other regions, the differences in LGD-derived CH4 fluxes and their seasonal variations were found to be controlled by climatic conditions and lake types in different global regions. Higher LGD-derived CH4 fluxes and more pronounced seasonal variations could be associated with higher temperature, larger water depth and more intense water level fluctuations. This study provides a novel perspective and broader implications for the comprehension and evaluation of seasonal methane emissions and understanding the carbon cycle in global lake ecosystems in humid areas with intense water level fluctuations.

Deep CO2 emissions facilitated by localized shear deformation: A case study of the Karakoram fault system, western Tibet

Strike-slip faults play a significant role in creating deeply penetrating fractures with high permeability, thus promoting rapid migration of CO2-rich fluids to the surface. However, there are rare observations regarding how strike-slip movement could affect deep CO2 emissions. Here, we focus on the Karakoram fault system (KKFS), western Tibet, to estimate diffuse soil CO2 fluxes and to unravel potential controlling factors for CO2 emissions. Average CO2 fluxes of geothermal fields range in 22–2475 g m−2 d−1, significantly higher than the across-fault profiles (6–116 g m−2 d−1). A mass balance model based on δ13C-CO2 and CO2 concentration of soil gases reveals that deep carbon constitutes 49.1–91.5 % (average = 73.9 %) and 0.2–40.5 % (average = 25.5 %) of soil-gas carbon released from geothermal fields and across-fault profiles, respectively. Deep carbon could be produced by thermal decomposition of crustal rocks considering CO2-rich fluids with radiogenic helium isotopes. Strikingly, higher CO2 fluxes preferentially occur in geothermal fields along a bending segment of the KKFS, where localized shear deformation is prominent as documented by high slip rates over geological timescales, dense splay faults, clustering of earthquake events, and elevated strain rates. We suggest that high stress acting on the KKFS bend could enhance the deformation and fracturing of fault zone rocks, leading to production of metamorphic CO2 and efficient release of CO2-rich fluids through the highly permeable fault system. Our results could shed new light on CO2 origins and fluxes of strike-slip faults that are characterized by spatially heterogeneous strain partitioning and thus localized enhanced shear deformation.

Impact of genetic variants on the separation efficiency of β-lactoglobulin during microfiltration of skim milk

Genetic variants of milk proteins are often overlooked by dairy processors as a parameter that can effect process efficiency. This study assessed the impact of the A and B genetic variants of β-lactoglobulin on the isolation of whey proteins from skim milk by microfiltration. The A and B genetic variants of β-lactoglobulin differ by two amino acids at positions 64 (A = aspartic acid, B = glycine) and 118 (A = valine, B = alanine), with the A variant thus having a higher negative charge. Mass balance calculations indicated that 46.7 % more whey proteins permeated during microfiltration for the A compared to the B variant, with the A also having significantly (P < 0.05) more total and reversible fouling accumulation than the B variant. These findings could be of importance to the dairy industry to improve microfiltration efficiency and increase protein yield during manufacture of native whey protein ingredients.

Potential Linkages Between Submarine Groundwater (Fresh and Saline) Nutrient Inputs and Eutrophication in a Coastal Aquaculture Bay

AbstractSubmarine groundwater discharge (SGD) plays a crucial role in nutrient budgets of coastal systems, encompassing both submarine fresh groundwater discharge (SFGD) and recirculated saline groundwater discharge (RSGD). Despite its significance, the specific importance of these components in mariculture bays has not been thoroughly assessed. Here, utilizing Ra isotopes and water‐salt mass balance model, we show that SFGD flux (1.1 ± 0.4 cm d−1) represented only 17% of the SGD in the Zhenzhu Bay, a typical mariculture bay along the South China Sea. Interestingly, the nutrient contribution from SFGD surpassed that from RSGD, accounting for 82% of the dissolved inorganic nitrogen (DIN) flux within the SGD. Analysis of the monthly satellite Chlorophyll‐a (Chl‐a) data confirmed that the decline in phytoplankton biomass can be linked to the limited dissolved silicate (DSi) transported by SFGD. Additionally, the elevated nitrogen to phosphorus ratio (241:1) and reduced silicon to nitrogen ratio (0.5:1) in SFGD compared to the Redfield ratio suggested that SFGD characterized by nitrogen excess and silica deficient, which likely played a role in transitioning from biogenic element constraints in coastal water. This shift may impact the proportions and functionality of the phytoplankton community, potentially mitigating water eutrophication. These findings underscore the significant influence of SGD on nutrient dynamics and the ecological environment in the Zhenzhu Bay.

On the Significance of Hydrate Formation/Dissociation during CO2 Injection in Depleted Gas Reservoirs

Summary The study aims to quantitatively assess the risk of hydrate formation within the porous formation and its consequences on injectivity during storage of CO2 in depleted gas reservoirs considering low temperatures caused by the Joule-Thomson (JT) effect and hydrate kinetics. Hydrates formed during CO2 storage operation can occupy porous spaces in the reservoir rock, reducing the rock’s permeability and thus becoming a hindrance to the storage project. The aim was to understand which mechanisms can mitigate or prevent the formation of hydrates. The key mechanisms we studied included water dry-out, heat exchange with surrounding rock formation, and capillary pressure. A semicompositional thermal reservoir simulator is used to model the fluid and heat flow of CO2 through a reservoir initially composed of brine and methane. The simulator can model the formation and dissociation of both methane and CO2 hydrates using kinetic reactions. This approach has the advantage of computing the amount of hydrate deposited and estimating its effects on the porosity and permeability alteration. Sensitivity analyses are also carried out to investigate the impact of different parameters and mechanisms on the deposition of hydrates and the injectivity of CO2. Simulation results for a simplified model were verified with results from the literature. The key results of this work are as follows: (1) The JT effect strongly depends on the reservoir permeability and initial pressure and could lead to the formation of hydrates within the porous media even when the injected CO2 temperature was higher than the hydrate equilibrium temperature; (2) the heat gain from underburden and overburden rock formations could prevent hydrates formed at late time; (3) permeability reduction increased the formation of hydrates due to an increased JT cooling; and (4) water dry-out near the wellbore did not prevent hydrate formation. Finally, the role of capillary pressure was quite complex, as it reduced the formation of hydrates in certain cases and increased in other cases. Simulating this process with heat flow and hydrate reactions was also shown to present severe numerical issues. It was critical to select convergence criteria and linear system tolerances to avoid large material balance and numerical errors.

Application of dynamic material balance to evaluate oil wells in Buzurgan oil field

The Material Balance Equation is a crucial tool utilized in reservoir studies to evaluate fluids and rock properties at static pressures. The Flowing and Dynamic Material Balance methods offer a significant advantage by avoiding the requirement to shut down wells, as they use flowing pressure instead of static pressure under constant or variable flow rates. The concept of "Dynamic Material Balance" involves converting the bottom hole flowing pressure at any point at any given time to the average reservoir pressure at that point. This allows for the use of classical material balance calculations and the development of classical material balance plots. In this study, the Dynamic Material Balance and Agrawal Type Curve techniques were used to estimate average reservoir pressures, initial hydrocarbon in place, and ultimate oil recovery for a well in the Mishrif reservoir, the main reservoir in the Buzurgan oil field. Many wells in this field experience problems such as high-pressure decline or continuous water production, necessitating ongoing evaluation. While the Dynamic Material Balance method focuses on boundary-dominated flow data, the Agrawal-type curve technique analyzes data from both transient and boundary flow periods. Agarwal decline curves were constructed using relationships of pseudo pressure normalized production, material balance pseudo time, and dimensionless variables in well-test analysis. The results from both methods showed comparable results with an absolute percentage error of (0.738) %, (3.07) %, and 5.7% for oil-in-place, drainage area, and average reservoir pressure, respectively. This strong correlation between the Dynamic Material Balance and Type Curve results indicates their accuracy and reliability.

19F qNMR based pharmacokinetics, metabolism and mass balance studies of SARS-CoV-2-3CL protease inhibitor simnotrelvir (SIM0417) in humans.

Simnotrelvir (SIM0417), an inhibitor of the 3CL protease of SARS-CoV-2, has been identified as a CYP3A sensitive substrate. This study investigated the pharmacokinetics, metabolism, and mass balance of simnotrelvir following a single oral dose of 750 mg in six healthy Chinese male subjects, co-administered with four doses of 100 mg ritonavir. Analysis using 19F qNMR combined with LC-MS/MS showed that the parent drug M0 constituted over 90% of the drug-related components in plasma. Of the administered dose, 55.4% (54.3% of M0) was recovered in urine, while 36.7% (4.57% of M0) was excreted in feces. UPLC/Q-TOF MS was used to identify metabolites in human plasma, urine and feces. Notably, oxidative metabolites catalyzed by CYP3A were scarcely detected in these matrixes. The amide hydrolyzed metabolite M9 and the cyano hydrolyzed metabolite M10 were recognized as the predominant metabolites, with the main excretion being through feces (19.0% and 12.7% of the administered dose, respectively). In vitro experiments indicated that M10 is primarily formed in the duodenum and jejunum, with further metabolism to M9 by microbiota in the large intestine. Overall, the co-administration of simnotrelvir with ritonavir led to predominant metabolism by intestinal enzymes or microbiota, resulting in hydrolyzed metabolites. These findings highlight the critical role of intestinal metabolism in the pharmacokinetics of simnotrelvir and emphasize the need to consider interactions with antibiotics and individual differences of intestinal microbiota.