Gas Ions Research Articles

Geological and geochemical characterization of caprock integrity in the Athabasca oilsands region

Caprocks play a pivotal role in petroleum systems for the accumulation of oil and gas, as well as in processes such as steam injection for heavy oil recovery and geological storage of CO2. In this study, the geological and geochemical characteristics of the caprock from the Cretaceous Wabiskaw Member (Mbr.) and overlying Clearwater Formation (Fm.), situated above the Athabasca oil sand region, were thoroughly examined using core samples obtained from well 1-22-90-14W4. Through HAWK programmed pyrolysis and solvent extraction, the caprock succession was revealed to exhibit limited organic content with total organic carbon content < 2.0 wt% and extractable organic matter (EOM) < 200 ppm. Further analysis using gas chromatography-flame ionization detector and gas chromatography-mass spectrometry on EOM unveiled insights into the mixing dynamics between the underlying oil reservoir and the caprock indigenous materials. Distinct trends in the ratios of low molecular weight (LMW) aromatic hydrocarbons, N-shielded carbazole, benzo[c]carbazole, and concentrations of carbazoles and benzocarbazoles were evident within a 5-m distance from the caprock-reservoir contact, indicating significant fractionation among compounds. Enrichment of these compounds was observed in the shale of the Wabiskaw Mbr., with a reversal of trends occurring within the initial 5 m into the overlying shale of the Clearwater Fm., suggesting limited oil penetration into the shale. The main Clearwater Fm. caprock succession was characterized by a dominance of immature, indigenous terrigenous organic matter, along with background concentrations of carbazole and benzocarbazole and an absence of N-shielded and/or LMW compound preferences. This composition starkly differed from the oil found in the underlying reservoir. The presence of calcareous cements in the Clearwater Fm. shale, approximately 5 m above the base, characterized by high bulk density (with 62% siderite), low porosity, and matrix permeability, contributed significantly to enhancing the sealing capacity of the caprock. The overall results provide compelling evidence that vertical oil leakage from the McMurray Fm. reservoir through the overlying shale of the Clearwater Fm. has not occurred during the post-lithification history with exception of the lower-most 5 m. The clay-rich argillaceous units identified in this study emerge as potential candidates for serving as effective caprock seals for steam injection and CO2 storage.

Chemical composition, anticholinesterase activity, and molecular docking studies of Piper crassipes Korth. ex Miq. essential oil

The purpose of this study was to investigate the chemical composition and anticholinesterase inhibitory activity of the essential oil obtained from Piper crassipes leaves collected from Malaysia. Twenty-two components were identified using gas chromatography-flame ionisation detection (GC-FID) and gas chromatography/mass spectrometry (GC-MS), which represent 97.8% of the essential oil. The identified major components included chavibetol (59.8%), chavibetol acetate (10.4%), γ-muurolene (5.4%), and germacrene D (4.6%). Anticholinesterase activity was assessed using Ellman’s method. A moderate inhibitory effect was observed for acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) enzymes with IC50 values of 77.2 ± 0.2 and 89.2 ± 0.2 µg/mL, respectively. The molecular docking studies revealed that chavibetol acetate showed potent interactions with the cholinesterase target, while other compounds exhibited varied binding patterns, providing crucial insights into their potential as cholinesterase inhibitors.

Setting the Separation Factor α for Ketone Monomers and Dimers by the Use of Different Drift Gases.

This study investigates the influence of different drift gases on ion mobility in ion mobility spectrometry (IMS) using ketones as model substances within a custom-built drift tube spectrometer. Different binary mixtures of nitrogen, helium, and argon were used as drift gases to investigate the influence of mobility on the monomers and dimers of the different ketones. Experimental results reveal shifts in ion drift times and separation factors (α) with varying gas compositions, in accordance with Blanc's Law. Furthermore, the study underscores the device-independent nature of α and the device-dependent resolution, emphasizing the importance of comparative analyses. Employing 2-hexanone and 2-decanone in the same sample but with different drift gases is used to show the impact of different drift gases. By changing the drift gas composition, total alignment of drift times and therefore no possible resolution or baseline resolution could be achieved. Through different experiments and analyses, this research provides insights into the interactions between gas composition and ion mobility, offering implications for diverse analytical applications from environmental monitoring to chemical detection.

Toxicity and Repellent Activity of Hedychium flavum Rhizome Essential Oil and Major Constituents Against Stored Product Insects1

Abstract An essential oil extracted from the rhizome of wild ginger, Hedychium flavum Roxburgh (Zingiberaceae), was evaluated for its toxic and repellent activity against adults of the stored product pests Tribolium castaneum (Herbst) (Coleoptera: Tenebrionidae), Lasioderma serricorne (F.) (Coleoptera: Anobiidae), and Liposcelis bostrychophila Badonnel (Psocoptera: Liposcelididae). Gas chromatography–flame ionization detection and gas chromatography–mass spectrometry revealed 24 compounds that composed 90.52% of the constituents of the extracted oil. The main compounds identified were β-pinene (33.52%), linalool (15.56%), and 1,8-cineole (11.20%). These three compounds and the rhizome essential oil were further assayed for their contact toxicity, fumigant, and repellent properties against the three stored product pests. Contact toxicity bioassays determined median lethal dosages (LD50 values) of the essential oil as 22.3 µg/adult for T. castaneum, 11.3 µg/adult for L. serricorne, and 109.9 μg/cm2 for L. bostrychophila. Analysis of the fumigant toxicity bioassay established LC50 values of 15.6 mg/L air for T. castaneum and 7.6 mg/L air for L. serricorne. The rhizome essential oil had higher repellent activity against the three stored product pests. Our results indicate the potential of the essential oil from rhizomes of H. flavum and its three main components as potential botanical insecticides for management of stored product pests.

Molecular organic geochemistry and origin of oil in the Potwar Basin, Pakistan

The Potwar Basin (PTB) is a prominent geological feature located in northern part of Pakistan, and is considered as one of the active and productive regions for petroleum and gas exploration in Pakistan. In this study, eight crude oil specimens originating from three distinct fields within the PTB were comprehensively examined to decipher the environmental conditions, source of organic matter (OM) and oil-oil correlations using gas chromatography coupled with flame ionization detection (GC-FID) and gas chromatography-mass spectrometry (GC–MS). The molecular marker and hierarchical cluster analysis of PTB oils reveal two different crude oil families. Family-I showed relatively low values of Pr/Ph, C19TT/C23TT and C25TT/C24TeT, C27-C29 regular steranes, dibenzothiophene (DBT), fluorene (FL) and dibenzofuran (DBF), as well as C26/C28 TAS (20S) and C27/C28 TAS (20R). These results suggest that Family-I crude oils derived from marine environment of suboxic water bodies with higher contribution from green algae or planktonic microbes. However, Family II contains comparatively high values of the aforementioned molecular parameters, indicating that crude oils mainly originated from a lacustrine environment with a higher contribution of plant organisms under oxidizing conditions. Saturated hydrocarbon maturity parameters such as CPI and OEP, and C3122S/(C3122S + C3122R) and C3222S/(C3222S + C3222R) indicate PTB crude oils are thermally mature, while aromatic indices reveal that Family-II crude oils are high mature. The present research defines that PTB crude oils contributed from mixed organic matter sources of marine and lacustrine majorly from marine sedimentary environment with the bloom of algae and/or higher plants.

Electron trapping efficiency of a magnetron sputtering cathode

A common feature of all types of magnetron sputtering (MS) assemblies is an effective confinement of electrons by an appropriate combination of electric and magnetic fields. Therefore, studying the motions of electrons in the fields of magnetron assemblies is of particular importance. Here, we systematically analyze the electrons motions in front of a typical DC MS cathode. We first calculate the profiles of the magnetron’s magnetic field for balanced and two types of unbalanced configurations. Then, we compute the profiles of the cathode’s electric field before the gas discharge and after the plasma formation. A semi-analytical model is utilized to compute the plasma potential. We then track the motions of electrons released from the target and electrons produced through impact ionization of the background gas in the prescribed fields. A Monte Carlo model is implemented to consider electron-gas collisions and a mixed boundary condition is employed to account for electron-wall interactions. The study analyzes the impact of field profiles on the cathode’s efficiency in trapping electron by examining electron escape from the magnetic trap and electron recapture at the target surface. It is shown that the presence of plasma in all configurations leads to a significant increase in the trapping efficiency and the ionization performance, as well as a decrease in the recapture probability. These effects are attributed to the high electric field developed in the cathode sheath. Moreover, we statistically analyze the trapping efficiency by illustrating the spatial distributions of electrons locations in both axial and radial dimensions. It is demonstrated that during their azimuthal drift motion, the electrons released from the middle region at the target surface have the smallest range of axial and radial locations, in all configurations in the absence of plasma. Finally, the impact of field profiles on the average energies of electrons is discussed.

Effect of post-harvest drying period on the chemical composition of Zingiber zerumbet Sm. Rhizomes essential oil and its biological activities.

Zingiber zerumbet Sm. (Family: Zingiberaceae) is an important perennial medicinal oil-bearing herb that is native to the Southeast Asia. This study examines the impact of different durations of post-harvest shade drying (ranging from 1 to 12months) on essential oil yield and chemical composition of Z. zerumbet, in comparison to the freshly collected oil sample. This study explores how post-harvest shade drying impact the composition and longevity of Z. zerumbet rhizomes as well as its antimicrobial, antibiofilm activity. The oils were analyzed for their chemical composition analysis using a gas chromatography-flame ionization detector (GC-FID) and gas chromatography-mass spectrometry (GC-MS). The post-harvest periods of drying (1-12months) were discovered to enhance the concentration of marker constituents in the oil. The primary constituent, Zerumbone, was detected in concentrations ranging from 69.38 ± 5.63% to a maximum of 80.19 ± 1.53% as the drying duration of the rhizome was extended. The output of the essential oil was not significantly affected by drying times; however, it did have a noticeable impact on the proportions of monoterpenes. Both disc diffusion and broth microdilution assay were used in freshly collected Z. zerumbet oil for its antimicrobial potential against S. aureus, L. monocytogens, S. hominis, Salmonella enterica serovar Typhimurium, P. aeruginosa, S. intermedius, E. coli, and C. albicans. For the first time, the oil reported to exhibit antibiofilm activity against S. aureus which was validated using fluorescence microscopy, and effectively disrupts the biofilm by 47.38% revealing that essential oil was able to disintegrate the clusters of the pathogen. Z. zerumbet rhizome oil is effective to reduce food-borne microorganisms. Therefore, its essential oil, a natural source of bioactive zerumbone, may improve flavor, aroma, and preservation.

Gas Chromatography and Ion Mobility Spectrometry: A Perfect Match?

Over the past few decades, their outstanding sensitivity and quick response times have allowed ion mobility spectrometers (IMS) to become increasingly popular detectors for gas chromatographs (GC). In this manuscript, we discuss the basic operating principle of IMS, its resulting strengths and weaknesses, and why both perfectly align with the capabilities and requirements of gas chromatographs. This is combined with basic advice for setting up GC-IMS couplings and an outlook on some future developments.

Investigation on activation characterization, secondary electron yield, and surface resistance of novel quinary alloy Ti–Zr–V–Hf–Cu non-evaporable getters

The performance of next-generation particle accelerators has been adversely affected by the occurrence of electron multipacting and vacuum instabilities. Particularly, minimization of secondary electron emission (SEE) and reduction of surface resistance are two critical issues to prevent some of the phenomena such as beam instability, reduction of beam lifetime, and residual gas ionization, all of which occur as a result of these adverse effects in next-generation particle accelerators. For the first time, novel quinary alloy Ti–Zr–V–Hf–Cu non-evaporable getter (NEG) films were prepared on stainless steel substrates by using the direct current magnetron sputtering technique to reduce surface resistance and SEE yield with an efficient pumping performance. Based on the experimental findings, the surface resistance of the quinary Ti–Zr–V–Hf–Cu NEG films was established to be 6.6 × 10−7 Ω m for sample no. 1, 6.4 × 10−7 Ω m for sample no. 2, and 6.2 × 10−7 Ω m for sample no. 3. The δmax measurements recorded for Ti–Zr–V–Hf–Cu NEG films are 1.33 for sample no. 1, 1.34 for sample no. 2, and 1.35 for sample no. 3. Upon heating the Ti–Zr–V–Hf–Cu NEG film to 150 °C, the XPS spectra results indicated that there are significant changes in the chemical states of its constituent metals, Ti, Zr, V, Hf, and Cu, and these chemical state changes continued with heating at 180 °C. This implies that upon heating at 150 °C, the Ti–Zr–V–Hf–Cu NEG film becomes activated, showing that novel quinary NEG films can be effectively employed as getter pumps for generating ultra-high vacuum conditions.

Efficient Gas Ion Source with Space Charge

Efficient Gas Ion Source with Space Charge

Ionizing terahertz waves with 260 MV/cm from scalable optical rectification.

Terahertz (THz) waves, known as non-ionizing radiation owing to their low photon energies, can actually ionize atoms and molecules when a sufficiently large number of THz photons are concentrated in time and space. Here, we demonstrate the generation of ionizing, multicycle, 15-THz waves emitted from large-area lithium niobate crystals via phase-matched optical rectification of 150-terawatt laser pulses. A complete characterization of the generated THz waves in energy, pulse duration, and focal spot size shows that the field strength can reach up to 260 megavolts per centimeter. In particular, a single-shot THz interferometer is employed to measure the THz pulse duration and spectrum with complementary numerical simulations. Such intense THz pulses are irradiated onto various solid targets to demonstrate THz-induced tunneling ionization and plasma formation. This study also discusses the potential of nonperturbative THz-driven ionization in gases, which will open up new opportunities, including nonlinear and relativistic THz physics in plasma.

Longitudinal ion-clearing mechanism in space-charge neutralization of low energy beams

In electron guns, generating high-intensity beams comes with the cost of increasing the number of secondary ions produced by the residual gas ionization which can be a limiting factor in the cathode lifetime. However, it is often overlooked that the longitudinal potential generated by the beam can be the main factor influencing secondary ions to drift back toward the source and limit the maximum beam intensity. Using 3D simulations, this paper shows how the flux of trapped ions depends on the beam parameters. The results provide a practical framework that can be used as a guide in the design of the electron gun focal point to mitigate the ion back bombardment. Published by the American Physical Society 2024

Manipulation of Gaseous Ions with Acoustic Fields at Atmospheric Pressure.

The ability to controllably move gaseous ions is an essential aspect of ion-based spectrometry (e.g., mass spectrometry and ion mobility spectrometry) as well as materials processing. At higher pressures, ion motion is largely governed by diffusion and multiple collisions with neutral gas molecules. Thus, high-pressure ion optics based on electrostatics require large fields, radio frequency drives, complicated geometries, and/or partially transmissive grids that become contaminated. Here, we demonstrate that low-power standing acoustic waves can be used to guide, block, focus, and separate beams of ions akin to electrostatic ion optics. Ions preferentially travel through the static-pressure regions ("nodes") while neutral gas does not appear to be impacted by the acoustic field structure and continues along a straight trajectory. This acoustic ion manipulation (AIM) approach has broad implications for ion manipulation techniques at high pressure, while expanding our fundamental understanding of the behavior of ions in gases.

Manipulating Non-Dissociative Transformations of Gaseous Ion Ensembles Prior to Ion-Mobility Separation.

Molecules with multiple sites capable of accepting protons form ensembles of protomers. The manifested protomer ratios in such ensembles are influenced by many experimental conditions. In a Synapt G2 ion mobility (IM)-enabled mass spectrometry system, there are several physical locations where ion population changes can be manifested. Using APCI-generated protomers of aminonaphthalenes, we investigated its intramolecular proton transfers from the N-protomer to the C-protomer. This lossless transformation of the N-protomer to the thermodynamically favored C-protomer can take place in the ion source itself. Initially, we learned that the cone gas slows down the transformation to the C-protomer. Gaseous ions are then accelerated in the first vacuum region, where ions undergo collisional activation (heating), which facilitates the transformation to the C-protomer. Afterward, the ions are mass selected and transferred to the pre-IM (Trap)-collision cell, where ions can also be transformed to the thermodynamically favored protomers. Trap accumulated ions are then released to the IM separator via a helium-filled entry cell. The role of helium is to minimize ion activation and scattering taking place upon entry to the high-pressure T-Wave IM separator (TWIMS). The helium cell is known to increase the IM peak resolution. However, we found that significant changes occur depending on the presence or absence of helium. Without helium, source-generated protomers rapidly changed to a predominantly thermodynamically favorable ensemble protomers. Apparently, the introduction of helium into the precell induced a dramatic decrease in collisional "heating" effect, which effectively slowed down the conversion rate of the amino-protomer into the more favorable ring-protomer. The final message is that mobilograms should not be considered as direct real-time, or intrinsic, representations of the protomer ratios in the ion source.

Effect of hydrogen, helium and dose rate on the evolution of dislocation loop in pure iron during in-situ ion irradiation

Simulating neutron irradiation with ion irradiation requires considering the comprehensive effects of hydrogen, helium and dose rate to fully understand the microstructure evolution of material in an irradiation environment. Here, the characterization and evolution of dislocation loops in pure iron were investigated under heavy ion irradiation with four different injected gas ion types (Fe+, Fe++H2+, Fe++He+and Fe++H2++He+) and under dual-beam (Fe++He+) irradiation with four different dose rates using in-situ transmission electron microscopy at 723 K. Comparing to the single-beam (Fe+) irradiation, the additional injection of H or He, or co-injected H and He, mainly promoted the nucleation of dislocation loops at the early stage of irradiation and enhanced loop growth after that. Among them, the simultaneous irradiation of triple beams (Fe++H2++He+) was most pronounced. Moreover, triple-beam (Fe++H2++He+) irradiation resulted in the highest ratio of the rotation of loop habit-plane. Under dual-beam (Fe++He+) irradiation, the results demonstrated that as the dose rate increased, the loop density increased and the loop size decreased. Moreover, the fraction of 〈100〉 loops at low dose rate was noticeably greater than that at high dose rate. The results of the current work provide important references for a better understanding of the effectiveness of ion irradiation in simulating neutron irradiation.

Numerical simulation and experimental characterization of the TRIUMF-FEBIAD cathode temperature for optimizing the ion source performance

The FEBIAD ion source is routinely used to produce radioactive ions of halogens, molecules, and noble gases in several ISOL facilities worldwide. At TRIUMF, an extensive numerical and experimental campaign has been performed to fundamentally understand the source while improving its reliability and overall performance. Particularly, the cathode temperature has been studied by pyrometric measurements, Schottky analysis and numerical simulations to properly understand the electron emission driving the ionization. The temperature values found are consistent within the error bars and confirm the equivalence of the methodologies used. The findings can be used as part of a numerical ionization model for more realistic electron emission and the benchmarked thermal model can be used to propose novel and more robust geometries.

Research and development activities to increase the performance of the CAPRICE ECRIS at GSI

At GSI the CAPRICE ECRIS is in operation to deliver high charge state ion beams from gaseous and metallic elements to the accelerator facility. A test campaign has been carried out at the ECR test bench to fulfill the demand for higher intensity and stability of high charge state ions and for mixed ion beams. The ion beam stability has been monitored by an Optical Emission Spectrometer (OES), which has been already used to check the plasma and the temperature of the resistively heated oven during metal ion beam operation, particularly for Ca ion beams. During the test campaign, it was investigated that the OES can be used for monitoring the stability of ion beams from gaseous elements and mixed ion beams, and the main achieved results are reported. The ion beams extracted from the ECRIS have been simulated with a particle tracking code in order to study and improve the beam matching into the RFQ. The preliminary results of the study together with possible modifications of the extraction column are presented.

Investigation of sheath structure in surface flashover induced by high-power microwave

Flashover is a major limiting factor for the transmission and miniaturization of high-power microwave (HPM) devices. We conducted a study to investigate the developmental process of surface flashover on HPM dielectric windows through particle-in-cell-Monte Carlo collision simulations. A one-dimensional spatial distribution and three-dimensional velocity distribution model is established, encompassing the entire process of surface flashover, which includes electrode field emission, single-surface multipactor, outgassing, and gas breakdown. The nonuniform mesh generation method is employed to enhance the simulation accuracy. The growth rates of electron and ion densities increase as gas pressure rises. Additionally, the discharge transitions gradually from multipactor to gas ionization dominance. Notably, a space-charge-limited (SCL)-like sheath occasionally forms during an rf cycle near the surface under intermediate background pressure (∼0.05 Torr). The SCL-like sheath cannot exist stably. Instead, it periodically disappears and appears as the rf electric field changes. The underlying physics are explained by the variations of the rf electric field, which lead to the variations in the surface charge density, thereby affecting the normal electric field. The normal electric field interacts with the spatial distribution of charged particles, ultimately leading to the formation of the SCL-like sheath. This work may facilitate a comprehensive understanding of the developmental processes of surface flashover.

Permanent magnet ECR ion source and LEBT dipole for single-ended heavy ion ToF-ERDA facility

We present the status of the ion source and low energy beam transport prototyping for a single-ended heavy ion time-of-flight elastic recoil detection analysis equipment. The environmentally friendly concept is based on a permanent magnet ECR ion source and dipole magnet on a 500 kV platform without SF6 insulation, producing high charge state noble gas ion beams, e.g. 3–6 MeV argon. The ion fluxes of Ar6+–Ar12+ achieved with the CUBE-ECRIS permanent magnet minimum-B quadrupole ion source exceed 1-10 particle nA required for the low energy ToF-ERDA application. The CUBE-ECRIS can produce over 1 particle nA krypton and xenon beams up to charge states Kr19+ and Xe24+, which enables extending the scope of the ToF-ERDA application. The integration of an adjustable-field permanent magnet dipole into the CUBE-ECRIS test stand at the JYFL accelerator laboratory is described briefly.

Time-dependent AGN disc winds – I. X-ray irradiation

ABSTRACT We study active galactic nucleus (AGN) line-driven disc winds using time-dependent radiation hydrodynamics. The key criterion for determining wind launching is the coupling strength of the ultraviolet radiation field via the spectral lines of the gas. The strength of these lines in turn relies crucially on the gas ionization state, determined by the local X-ray intensity. We consider a suite of models where the central ionizing radiation is affected by scattering, absorption, and re-emission by the intervening gas. In a pure attenuation model, the disc launches an episodic wind, as previous studies have shown. Including scattering or re-emission tends to weaken the wind, lowering the mass flux and outflow velocity and, if sufficiently dominant, suppressing the outflow entirely. However, the exponential nature of radiative attenuation means that only a modest, factor of a few, increase in the absorption cross-section can overcome the wind suppression due to scattering and re-emission. We find mass outflow rates of ∼20 per cent or more of the assumed inflow rate through the disc, indicating that radiation-driven winds may significantly alter the structure of the accretion flow. The winds also supply a large, time-varying column of material above the nominal constant disc scale height, which will determine the geometry of reprocessed emission from the central source. Our results suggest the need for accurate photoionization modelling, radiation transport, and accretion disc physics, to study their effects on the AGN disc winds.