Search Results (12)

Δ⁹-Tetrahydrocannabiphorol (Δ⁹-THCP, THCP) a psychoactive cannabinoid recently found in Cannabis sativa L., is widely used as a legal marijuana substitute. THCP is encountered in sprayed Cannabis, edibles, and vape liquids. The distributors of such products claim that the THCP in use originates from a natural source. The legal status of this substance varies from country to country. THCP and similar cannabinoids with a dibenzoyprane structure have been banned in Switzerland since October 2023. A vape liquid, which contains 90% THCP and 10% terpenes according to the distributor, was analyzed by gas chromatography coupled with mass spectrometry (GC-MS). Besides CBP, CBDP, Δ⁹-THCP and Δ⁸-THCP and some terpenes, other compounds were found which probably result from a synthetic procedure. This sample contained 5-heptylresorcinol, the heptyl homologue of olivetol, a common precursor for the synthesis of tetrahydrocannabinol (THC). Bisalkylated compounds (m/z 476) were found as a result of the reaction of one equivalent of 5-heptylresorcinol with two equivalents of (+)-p-mentha-1,8-dien-4-ol or another precursor. Similar bisalkylated compounds are known as undesired side products of the synthesis of THC. The sample contained unidentified isomers of Δ⁹-THCP, presumably abnormal cannabinoids (abn-Δ⁹-THCP; abn-Δ⁸-THCP) and iso-cannabinoids (iso-THCP). Chiral derivatization with Mosher acid chlorides revealed that the Δ⁹-THCP in the sample was enantiopure. Full article

The effects of different spargers on the hydrodynamics and mass transfer of an airlift loop reactor were investigated. The gas holdup, liquid loop velocity, and volumetric mass transfer coefficient of the reactor were tested using a ring orifice distributor and a jet nozzle. The study was conducted in a 6 m high airlift loop reactor at a superficial gas velocity of 0.01~0.04 m/s, and the superficial liquid velocity was maintained at 0.0154 m/s. The results showed that using the jet nozzle provided a higher gas holdup, liquid loop velocity, and mass transfer. When the superficial gas velocity was less than 0.0325 m/s, the liquid loop velocity generated by the jet nozzle was approximately 1.1-fold higher than that generated by the ring orifice distributor, and the disparity in gas holdup between the riser and downcomer enhanced the power of liquid circulation. When the superficial gas velocity was more than 0.0325 m/s, the jet kinetic power dominated the improvement in the liquid loop velocity, and the energy input from the nozzle to the airlift loop reactor was greater than 10.8 J/(s·m²). This indicated a threshold of energy input for overcoming the friction loss. In this situation, the liquid loop velocity in the jet form increased considerably, thus favoring the mixing performance and temperature uniformity of the reactor. It was also of significance for avoiding the formation of a flow dead zone in scale-up airlift loop reactors. Full article

Bubble columns (BCs) are widely used in the chemical industry. In many industrial applications, these important gas-liquid contactors operate in a churn-turbulent flow regime. In principle, it is essential to determine the operating conditions in every BC reactor, in which local isotropic turbulence is established. In this work, it was demonstrated that several different parameters (Kolmogorov entropy, correlation dimension and novel hybrid index) follow a monotonic decreasing trend. This finding could be explained by the constantly increasing coalesced bubble size, which brings more order into the gas-liquid system and thus any entropic or chaotic parameter should decrease with the increase in the superficial gas velocity U_g. The profiles of the new parameters in various gas-liquid systems were studied. They were extracted from different pressure signals (gauge or absolute). In this research, BCs of different diameter and equipped with different gas distributors were used. It was demonstrated that the studied parameters could be successfully correlated with the length scale of the micro eddies and thus the U_g range of applicability of the local isotropic turbulence theory under various operating conditions was indirectly determined. The overall gas holdup profiles were analyzed and, based on the exponent of the U_g value, it was found that in the aqueous solutions of alcohols studied, the conditions in the bubble bed (BB) are homogeneous, whereas in the air-tap water system aerated in different BCs, the conditions in the BB are heterogeneous. This result implies that the local isotropic turbulence conditions predominate mainly around the corresponding measurement positions. Full article

Gas/liquid contactors are widely used in chemical and biotechnological applications. The selection and design of bubble-column-type gas/liquid contactors requires knowledge about the gas distributor design to provide appropriate gas flow patterns. This study presents the continuous chemisorption of CO₂ in 0.1 molar sodium hydroxide solution in a counter currently operated gas/liquid Taylor-Couette disc contactor (TCDC). This vertical-column-type contactor is a multi-stage agitated gas/liquid contactor. The performance of a lab-size TCDC contactor in gas/liquid mass transfer operations was investigated. The apparatus design was adjusted for gas/liquid operations by installing perforated rotor discs to provide a rotational-speed-dependent dispersed gas phase holdup in the column. The parameters of dispersed gas phase holdup, volumetric mass transfer coefficient and residence time distribution were measured. In the first step, hydraulic characterization was performed. Then, the efficiency in gas/liquid operations was investigated by continuous neutralization of 0.1 molar sodium hydroxide with a gas mixture of 30 vol% CO₂ and 70 vol% N₂. Temperature, rotational speed and gas flow rate were varied. The desired pH value of pH 9 at the column outlet was kept constant by adjusting the sodium hydroxide feed. From the experimental results, the volume-based liquid-side mass transfer coefficient k_La was deduced in order to model the reaction according to the two-film theory over the column height. The CSTR cascade model fitted the experimental data best. The experimental results confirm stable and efficient reactive gas/liquid contact in the Taylor-Couette disc contactor. Full article

A designed cryogenic upper stage adopted liquid hydrogen and liquid oxygen (LH₂/LO₂) as an aerospace propellant. During a zero-gravity coast period in space, the wall heat leakage into the delivery tube could induce liquid propellant evaporation and two-phase flow phenomenon, so that a bubble discharge operation must be employed prior to engine restart. In this study, a CFD approach was utilized to numerically study the bubble discharge behaviors inside the LH₂ delivery tube of the upper stage. The bubble motion properties under two different schemes, including positive acceleration effect and circulation flow operation, were analyzed and discussed. The results showed that the boiled hydrogen bubbles could increase to the size of the tube inner diameter and distribute randomly within the entire tube volume, and that, in order for the bubble to spill upward under the acceleration effect, a higher acceleration level than the needed value of acquiring liquid–vapor separation inside the propellant tank should be provided. When creating an acceleration level of 10⁻³ g₀, most of the bubbles could spill upward within 700 s. Significantly, the bubbles could not be completely expelled in the created acceleration condition since a number of small bubbles always stagnate in the bulk liquid region. In the circulation flow operation, the gas volume reduction was mainly attributed to two mechanisms: the vapor condensation effect; and bubble discharge effect. For the case with a circulation flow rate of 0.2 kg/s, a complete bubble discharge purpose was reached within 820 s, while a large bubble stagnation in the spherical distributor occupied a remarkable proportion of the total time. In addition, both the liquid flow rate and liquid subcooling exert important effects on bubble performance. When applying a high circulation flow, the gas volume reduction is mainly due to the inertial effect of liquid flow, but the bubble stagnation in the spherical distributor still affects the total discharge time. The liquid subcooling influence on the gas volume reduction is more significant in smaller circulation flow cases. Generally, the present study provides valuable conclusions on bubble motions inside a LH₂ delivery tube in microgravity, and the results could be beneficial to the sequence design of engine restart for the cryogenic upper stage. Full article

A scheme of a gas–liquid mixed jet is designed by installing gas distributor at the bottom of a stirred tank reactor to generate Taylor vortex. The eddy flow characteristics and mass transfer mechanism in the reactor are analyzed by numerical simulation and experiment. The results show that the evolution law of Taylor vortex in a stirred tank reactor with a rotating Reynolds number is similar to that in a conventional Taylor reactor. The Taylor vortex generated in the stirred tank reactor creates a partial plug flow region in the original complete mixing flow pattern, which reduces back mixing, the plug flow area expands with the increase of rotating Reynolds number. Under the condition of a critical rotating Reynolds number (Re_cr), the gas phase homogeneity of the reactor is increased by 28% and the dissolved oxygen rate is increased by about 5 times, which effectively improves the flow condition in the reactor and strengthens the mass transfer efficiency between the gas and liquid. The research results provide a theoretical basis for breaking through the limitation of small reaction space of conventional Taylor flow reactor and expanding production scale. The refit of kettle reactor is universal and easy to operate. Full article

In a pilot-scale internal loop airlift reactor with a height of 5.5 m and a main column diameter of 0.484 m, the influence of three gas sparger structures (ladder distributor, tri-nozzle sparger and perforated plate) on the volumetric mass transfer coefficient k_La was investigated. It was found that the perforated plate produces the highest gas holdup difference and circulating liquid velocity between the riser and the downcomer. The perforated plate provides the most efficient mass transfer due to the more uniform gas distribution and higher circulating liquid velocity, followed by the ladder distributor and tri-nozzle spargers. Compared with the tri-nozzle sparger, the perforated plate increases the value of k_La by up to 16% at a superficial velocity of 0.15 m/s. Interestingly, the analysis of the liquid-phase mass transfer coefficient k_L and specific area a with respect to gas velocity shows that the mass transfer rate is primarily controlled by a. By comparing the predictions of different mass transfer models, the slip velocity model based on penetration theory yields a satisfactory agreement with the experimental results within ±15% error. Meanwhile, empirical correlations regarding gas holdup and k_La were developed and were found to have good consistency with experimental values. Full article

Hydrogen-fueled fuel cells are considered one of the key strategies to tackle the achievement of fully-sustainable mobility. The transportation sector is paying significant attention to the development and industrialization of proton exchange membrane fuel cells (PEMFC) to be introduced alongside batteries, reaching the goal of complete de-carbonization. In this paper a multi-phase, multi-component, and non-isothermal 3D-CFD model is presented to simulate the fluid, heat, and charge transport processes developing inside a hydrogen/air PEMFC with a serpentine-type gas distributor. Model results are compared against experimental data in terms of polarization and power density curves, including an improved formulation of exchange current density at the cathode catalyst layer, improving the simulation results’ accuracy in the activation-dominated region. Then, 3D-CFD fields of reactants’ delivery to the active electrochemical surface, reaction rates, temperature distributions, and liquid water formation are analyzed, and critical aspects of the current design are commented, i.e., the inhomogeneous use of the active surface for reactions, limiting the produced current and inducing gradients in thermal and reaction rate distribution. The study shows how a complete multi-dimensional framework for physical and chemical processes of PEMFC can be used to understand limiting processes and to guide future development. Full article

For the simulation of a trickle-bed reactor (TBR) in coal and oil refining, modeling the liquid maldistribution of the gas-liquid distributor incurs enormous pre-processing work and bears a huge computational cost. A closed-loop optimized system with computational fluid dynamic (CFD) data is therefore proposed for the first time in this paper. A fast prediction model based on support vector regression (SVR) is developed to simplify the modeling of the liquid flow rate in TBRs. The model uses CFD simulation results to determine an optimized set of structural parameters for the gas-liquid distributor in TBRs. In order to obtain an accurate SVR model quickly, the particle swarm optimization (PSO) algorithm is employed to optimize the SVR parameters. Then, the structural parameters corresponding to the minimum liquid maldistribution factor are calculated using the response surface methodology (RSM) based on the hybrid PSO-SVR model. The CFD validation results show a good agreement with the values predicted by RSM, with liquid maldistribution factors of 0.159 and 0.162, respectively. Full article

This review covers the scope of multiscale computational fluid dynamics (CFD), laying the framework for studying hydrodynamics with and without chemical reactions in single and multiple phases regarded as continuum fluids. The molecular, coarse-grained particle, and meso-scale dynamics at the individual scale are excluded in this review. Scoping single-scale Eulerian CFD approaches, the necessity of multiscale CFD is highlighted. First, the Eulerian CFD theory, including the governing and turbulence equations, is described for single and multiple phases. The Reynolds-averaged Navier–Stokes (RANS)-based turbulence model such as the standard k-ε equation is briefly presented, which is commonly used for industrial flow conditions. Following the general CFD theories based on the first-principle laws, a multiscale CFD strategy interacting between micro- and macroscale domains is introduced. Next, the applications of single-scale CFD are presented for chemical and biological processes such as gas distributors, combustors, gas storage tanks, bioreactors, fuel cells, random- and structured-packing columns, gas-liquid bubble columns, and gas-solid and gas-liquid-solid fluidized beds. Several multiscale simulations coupled with Eulerian CFD are reported, focusing on the coupling strategy between two scales. Finally, challenges to multiscale CFD simulations are discussed. The need for experimental validation of CFD results is also presented to lay the groundwork for digital twins supported by CFD. This review culminates in conclusions and perspectives of multiscale CFD. Full article

In the energy transition from fossil to renewable resources, gas is foreseen to play an important role. However, the composition of the gas is expected to change due to a wider variation of sources. In order to mitigate potential challenges for distributors and end-users, a new low-cost gas composition sensor was developed that will be able to monitor the composition and energy content of these gas sources, ranging from biogas to liquid natural gas (LNG). Together with industrial and academic partners a gas sensor was realized that can be inserted in an existing gas grid. A first demonstrator was realized that was small enough to be used in low and medium pressure gas pipes (100 mbarg—8 barg). Adding the pressure and temperature data to the chip readings enables to determine the concentrations of methane, ethane, propane, butane, nitrogen and carbon dioxide, including small fluctuations in water vapor pressure and subsequently calculate the Calorific Value, Wobbe Index and Methane Number. Full article

The performance of fixed-bed reactors with structured catalysts depends heavily on the gas–liquid–solid contacting pattern. For a broad range of flow conditions, the liquid phase does not cover the solid surface of the packing homogeneously; this is known as partial wetting. The wetting fraction in solid foams was obtained using a modified electrochemical measurement method with adaption of the limiting-current technique in different pre-wetting scenarios. The external wetting fraction, which is defined as fraction of the external solid-foam area covered by the liquid phase to the total external solid-foam area, is directly linked to the overall rate of reaction through the overall liquid mass transfer rate. The wetting fraction decreased with an increase in foam density, a process which was related to decreasing the strut thickness, increasing foam surface area, and consequently, decreasing the wetted area. Additionally, the results indicate that a better distribution of liquid and an increased wetting fraction occurred when a spray nozzle distributor was applied. A new wetting correlation for solid foams is proposed to estimate the wetting fraction with consideration of foam morphology and flow regime. Full article