Repositório DSpace :: Navegando por Autor "Pilling, Sergio"

Navegando por Autor "Pilling, Sergio"

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Characterization of acetonitrile ice irradiated by X-rays employing the procoda code – II. Desorption processes
(Royal Astronomical Society) Carvalho, Geanderson Araújo; Pilling, Sergio; Gerasimenko, Svitlana
In this work, we focus on the study of radiation-induced desorption processes that occurred in acetonitrile ice irradiated by broad-band X-rays (6 eV to 2 keV) monitored by Fourier transform infrared spectroscopy at different radiation fluences. In a previous work, we used the procoda code to derive the chemical evolution of the ice. Here, we have observed that the acetonitrile desorbed column density is at least two orders of magnitude larger than the desorbed column densities of daughter or granddaughter molecular species at chemical equilibrium stage. This indicates that total desorption column density is mainly governed by the father molecule, as also previously hypothesized in experimental studies. This occurs basically because the acetonitrile column density is larger than the other ones. In particular, at chemical equilibrium acetonitrile desorption column density represents almost 98 per cent of the total, while it is close to 1 per cent for H, CN, and CH2, the species with larger molecular desorption percentages at chemical equilibrium. Another derived quantity is what we called intrinsic desorption rate, which is a number per second for individual species. Some of the larger intrinsic desorption rates were 6.2 × 10−6 (CH3CN), 6.2 × 10−6 (CN), 5.7 × 10−6 (H), 5.7 × 10−6 (CH2), and 4.4 × 10−6 (C2N2). These results help to put constraints in astrochemical models and can also be useful to clarify some astronomical radio observations.
Chemical changes induced during heating of acetonitrile-rich ice pre-irradiated by X-rays and its implication in astrochemistry
(Elsevier) Carvalho, Geanderson Araújo; Pilling, Sergio
In this work, we investigate the effects induced by the heating of acetonitrile-rich ice from 13 K to 350 K. Before the heating, the sample was irradiated at 13 K by broadband X-rays (6 eV to 2 keV), which trigger the production of new molecules, such as HCN, H2CCNH, CH4 and CH3NC (see Carvalho and Pilling, 2020) and also induced desorption of frozen species to gas-phase. New spectra were collected during heating to investigate whether new species, not present before at lower temperatures, appear due to thermal processing. New infrared bands were identified at temperatures around 120 K and 300 K, from which it was possible to notice the possible presence of HCN/CN radical, ammonia and C2N2. It was also verified that acetonitrile has a thermal desorption peak between 120 K and 200 K, which yields to the vanishing of acetonitrile within the sample for temperatures of 200 K and above. Some infrared features assigned before solely to acetonitrile remain for sample temperatures > 200 K, which indicates the presence of blended species with similar infrared features. From analyzing those blended peaks, we also perceived the possible presence of aminoacetonitrile.
Chemical Evolution of CO2 Ices under Processing by Ionizing Radiation: Characterization of Nonobserved Species and Chemical Equilibrium Phase with the Employment of PROCODA Code
(IOP science) Pilling, Sergio; Carvalho, Geanderson Araújo; Rocha, Will Robson Monteiro
Astrophysical ices are being exposed to ionizing radiation in space environments, which trigger new reactions and desorption processes. In the lab, such processing by radiation has revealed the appearance of several new species and complements the study of the chemical evolution of icy astrophysical scenarios. Here, we develop a computational methodology that helps to clarify the chemical evolution of ices investigated experimentally under photolysis/radiolysis processes until reaching chemical equilibrium (CE). Briefly, the code (named PROCODA) solves a system of coupled differential equations and describes the evolution of the molecular abundances with the irradiation time for ices under processing by radiation. Two experimental ice samples containing pure CO2 and irradiated by two ionizing agents (cosmic rays and ultraviolet photons) were considered prototype systems. Here, we considered 11 different chemical species within the ice (four observed: CO2, CO, O3, and CO3; seven nonobserved or unknown: O, O2, C, C2, C2O, C2O2, and C2O3), 100 reaction routes (e.g., direct dissociation reactions, bimolecular and termolecular reactions) and radiation-induced desorption processes. The best-fit models provide the reaction rates, several desorption parameters, as well as the characterization of the CE phase. At CE, the percentage of nonobserved species in the UV model was almost triple the one calculated in the CR model (which also includes a lot of O and C atoms). The determined values can be employed in future astrochemical models to map chemical evolution embedded species in astrophysical regions under the presence of an ionizing radiation field.
Chemical evolution of electron-bombarded crystalline water ices at different temperatures using the procoda code
(Royal Astronomical Society) Pilling, Sergio; Silveira, Carolina Hahn da; Ojeda González, Arian
Water ices are a common component of cold space environments, including molecular and protostellar clouds, and the frozen surfaces of moons, planets, and comets. When exposed to ionizing and/or thermal processing, they become a nursery for new molecular species and are also responsible for their desorption to the gas-phase. Crystalline water ice, produced by the deposition of gaseous water at warm (80–150 K) surfaces or by the heating of cold amorphous water ice (up to ∼150 K), is also regularly detected by astronomical observations. Here, we employed the procoda code to map the chemical evolution of 5 keV electron-bombarded crystalline water-ices at different temperatures (12, 40, 60 and 90 K). The chemical network considered a total of 61 coupled reactions involving nine different chemical species within the ice. Among the results, we observe that the average calculated effective rate constants for radiation-induced dissociation decrease as the ice´s temperature increases. The abundance of molecular species in the ice at chemical equilibrium and its desorption to gas-phase depend on both the temperature of the ice. H2O molecules are the dominant desorbed species, with a desorption yield of about 1 molecule per 100 electrons, which seems to be enhanced for warmer crystalline ices. The obtained results can be employed in astrochemical models to simulate the chemical evolution of interstellar and planetary environments. These findings have implications for astrochemistry and astrobiology, providing insight into crucial chemical processes and helping us understand the chemistry in cold regions in space.
Computational simulation of the bombardment of molecular clump by realistic cosmic ray field employing GEANT4 code
(Royal Astronomical Society) Pazianotto, Maurício Tizziani; Pilling, Sergio
Here, we present calculations on the energy delivered (and heating) by realistic cosmic rays (CRs) field at a typical molecular clump. The current model describes, with unprecedented spatial resolution, the energy delivery by a realistic CR field in molecular clumps. The calculations were performed employing the Geant4 code (considering full cascade physical processes and hadron physics) considering the cosmic ray field taken from the Voyager spacecraft measurements in the interstellar medium. The results showed that the total energy deposition rate, considering light particles (protons, electrons and alphas), medium-mass ions and heavy-ions, ranges from 400 MeV/g/s in the outer layer (at 105 AU) to roughly 100 MeV/g/s in the inner layer of the model (below 0.1 AU). The main energy deposition rate is due to the incoming protons. Incoming alphas represent 15–20 per cent of the energy deposition. In the deep core of the cloud, the fraction of energy delivered by medium-mass ions, electrons, and heavy ions are 5 per cent, 2.5 per cent, and 1 per cent, respectively. The heating induced by cosmic rays seems to affect mostly the regions above ∼500 AU. Considering a balanced heat model with warm dust grains (T∼16–18 K), we observe a small bump in temperature at 2000–5000 AU. We suggest this temperature enhancement by CRs might have some affect on the molecular formation or cometary formation in pristine Oort cloud region inside the Solar System.
Deuteration of molecular clumps induced by cosmic rays
(Elsevier) Pilling, Sergio; Pazianotto, Maurício Tizziani; Molina, Jose Manuel Quesada
The D/H ratio in astrophysical environments has instigated the scientists for at least 50 years. The wide range of values in the interstellar medium (ISM) from 10e to 7 to 10e-1 have usually been claimed to be due to small zero-point energy differences between reactants and products involving D and H (mainly at low temperatures). Here, we present a new source of deuteration processes in the ISM clouds as a result of cosmic ray irradiation. As a study object, we consider a typical molecular clump under the presence of incoming cosmic rays simulated computationally. The calculations were performed employing the Monte Carlo toolkit GEANT4 code (considering hadronic physics) and considering mainly the proton and alpha component of the incoming cosmic rays from the ISM (the dominant ones for the production of secondary protons and deuterons). The results suggest an increasing D/H ratio as function of time in the central part of molecular clumps (<200 AU) with the largest deuteration in the central region of the cloud, and a bump in the D/H ratio around 2–10 AU (which becomes more pronounced for clouds with larger timescales; > 10 Myrs). The results also show that for timescales between 10 and 100 Myrs the central part of the cloud has D/H around 6-16e-3, a value compatible with the observed D/H in some interstellar clouds. This work adds a new piece to the D/H puzzle of the ISM and might also help to explain the D/H ratio measured in different objects inside the Solar system.
Energy Deposition by Cosmic Rays in the Molecular Cloud Using GEANT4 Code and Voyager I Data
(IOP science) Pazianotto, Maurício Tizziani; Pilling, Sergio; Molina, Jose Manuel Quesada; Federico, Claudio Antonio
Molecular clouds (MCs) are exposed to Galactic and extragalactic cosmic rays (CR) that trigger several physical and physicochemical changes, including gas and grain heating and molecular destruction and formation. Here we present a theoretical model describing the energy delivered by CRs, composed of protons, alphas, and electrons taken from Voyager I measurements, into a typical MC with 5400 M☉ (composed mainly of H with a density law of r −1.2) and size around 1 × 106 au. The calculation was performed employing the Monte Carlo toolkit GEANT4 to obtain the energy deposition per mass from several types of secondary particles (considering nuclear and hadron physics). The results indicate that incoming protons contribute to most of the energy delivered in the MC in all regions (maximum ∼230 MeV g−1 s −1 at outer regions of the cloud). Secondary electrons are the second most important component for energy deposition in almost all layers of the MC and can deliver an energy rate of ∼130 MeV g−1 s −1 in the outer region of the MC. Other cascade particles have their major energy delivery in the central and denser core of the MC. From a temperature model (considering CR data from Voyager I), we observed (i) a small bump in temperature at the distance of 3 × 103 –2 × 104 au from the center, (ii) a rapid temperature decrease (roughly 7 K) between the outer layer and the second most outer layer, and (iii) that, at a distance of 5 × 104 au (Av > 10), the gas temperature of the MC is below 15 K.
Enhancing learning of the Grad-Shafranov Equation through scientific literature: part 1 of a physics education series
(Sociedade Brasileira de Física) Ojeda González, Arian; Santos, Lenadro Nunes dos; La Luz, Victor Hugo de; Oliveira, Matheus Felipe Cristaldo de; Sousa, Antonio Nilson Laurindo; Prestes, Alan; Klausner, Virgínia; Pilling, Sergio
This article provides a comprehensive review of relevant studies in the fields of plasma physics, electromagnetism, and space physics. The aim is to demonstrate how the study of the scientific literature can be used to enhance problem-solving abilities and develop innovative solutions in physics. In this paper, we focus on the study of solutions of the specific Grad-Shafranov equation. Two of the new solutions proposed by Yoon and Lui (2005) are used as a basis for the development of a new solution. The new solution presented has singular points similar to the Yoon-Lui-2 solution, but with an inverted configuration, and also presents less rounded double islands compared to the Yoon-Lui-2 solution. Additionally, the new solution does not exhibit the formation of a current ring, a characteristic of the Yoon-Lui-1 solution, and varying its parameters may lead to higher plasma confinement efficiency. In summary, we illustrate how a thorough analysis of literature can serve as a powerful means for generating innovative approaches to resolving theoretical issues in physics.
Enhancing learning of the Grad-Shafranov equation through scientific literature: part 2 of a physics education series
(Sociedade Brasileira de Física) Santos, Lenadro Nunes dos; Ojeda González, Arian; La Luz, Victor Hugo de; Oliveira, Virgínia Klausner de; Pilling, Sergio; Prestes, Alan; Sousa, Antonio Nilson Laurindo; Oliveira, Matheus Felipe Cristaldo de
In part 1 of our physics education series, we introduced a novel solution based on Yoon-Lui’s solutions 1 and 2. Building upon that, this follow-up presents a new solution obtained by combining the generating functions of Yoon-Lui-1 and Yoon-Lui-3, resulting in a new and simplified general solution. We also calculate the singular points and determine their coordinates for various parameter values. A graphical representation of the solution is presented, showing the magnetic field lines and current density distribution. The behavior of the magnetic field and the effect of varying the parameter are discussed. The observed magnetic islands and singular points are relevant in the fields of Plasma Physics and Space Physics, providing insights into magnetic structures in plasmas and their impact on confinement and stability. Furthermore, this study encourages innovation and equips researchers and students with the necessary tools to make meaningful contributions to the field, emphasizing the integration of scientific literature into physics education to promote a comprehensive understanding of physical concepts and their practical applications.
Enhancing learning of the Grad-Shafranov equation through scientific literature: Part 3 of a physics education series
(Sociedade Brasileira de Física) Ojeda González, Arian; Oliveira, Matheus Felipe Cristaldo de; Santos, Leandro Nunes dos; Sousa, Antonio Nilson Laurindo; Pilling, Sergio
The Grad-Shafranov (GS) equation is a fundamental tool extensively used in plasma physics, particularly in the context of magnetic confinement, notably in tokamaks for fusion energy research. This equation plays a crucial role in reconstructing magnetic field topology in plasma regions like the magnetopause and magnetotail, leading to the development of the GS reconstruction technique. In this third installment of our series, we explore the merger of the Yoon-Lui-2 and Yoon-Lui-3 generating functions, allowing for a deeper understanding of the core equation in Plasma Physics. Furthermore, this article provides a comprehensive summary of solutions previously presented in Parts 1 and 2. We investigate the behavior of magnetic islands positioned above either the X-axis or the Z-axis for specific parameter values and their impact on plasma confinement. The article concludes that the derived model offers a simpler, more stable, and easily analyzable solution for magnetic morphology. However, it is worth noting that the model’s inflexibility in singularity positions may limit its adaptability to different scenarios. This article marks the conclusion of our physics education series dedicated to studying new specific solutions of the GS equation.
Experimental simulation of fast electron bombardment of methanol ice and its implications in astrochemistry
(Universidade do Vale do Paraíba) Freitas, Fabricio Moreira; Pilling, Sergio
Neste trabalho, simulamos experimentalmente o comportamento do gelo de metanol (CH3OH) numa temperatura de 12 K sob bombardeio de um feixe de elétrons rápidos (4.9 keV) na tentativa de reproduzir os processos fisioquímicos induzidos por elétrons em ambientes espaciais. A análise da amostra por espectroscopia infravermelha revela o surgimento de novas espécies, incluindo CO2, CO, H2O e CH4, devido ao processamento pela radiação ionizante. Quantificamos a seção de choque efetiva de destruição do metanol (5.5 × 10-19 cm2) e determinamos a seção choque efetiva de formação para as novas espécies produzidas. Além disso, caracterizamos a fase de equilíbrio químico (EQ), que se torna evidente em fluências mais altas. Calculamos também as abundâncias moleculares e avaliamos o rendimento de dessorção induzido por elétrons rápidos na amostra. Também foi estimado a escala de tempo necessária para atingir o equilíbrio químico em ambientes astrofísicos específicos impactados por elétrons. Este estudo contribui para uma melhor compreensão do efeito do bombardeio de elétrons em gelos astrofísicos e permite comparações significativas com os gelos ricos em compostos orgânicos em ambientes espaciais
Fotólise de gelo de água por raios-x moles e a produção de H2O2 durante as fases de irradiação e aquecimento
(Universidade do Vale do Paraíba) Pilling, Sergio; Silva, Rita de Cassia da
Gelos astrofísicos ricos em H2O (água) estão sempre expostos a radiações ionizantes no espaço, assim como a eventuais mudanças de temperatura. Seus estudos em laboratório permitem compreender seus comportamentos e mudanças químicas, além de permitir a quantificação de parâmetros físico-químicos importantes do próprio gelo. No presente trabalho, uma amostra de gelo de água a 12 K foi irradiada por raios-X moles na linha de luz SGM do LNLS/CNPEM até atingir o equilíbrio químico, e em seguida, foi aquecida até 220 K. Utilizando espectroscopia infravermelha (IR), mapeamos a evolução química da amostra e quantificamos a produção do seu principal produto, a molécula de H2O2. O estudo tem implicações na química das regiões de formação estelar, bem como em regiões frias do sistema solar.
Glycolaldehyde formation mediated by interstellar amorphous ice: a computational study
(Royal Astronomical Society) Paiva, Mateus Augusto Martins; Pilling, Sergio; Mendoza, Edgar; Galvão, Breno Rodrigues Lamaghere; Abreu, Heitor Avelino de
Glycolaldehyde (HOCH2CHO) is the most straightforward sugar detected in the Interstellar Medium (ISM) and participates in the formation pathways of molecules fundamental to life, red such as ribose and derivatives. Although detected in several regions of the ISM, its formation route is still debated and its abundance cannot be explained only by reactions in the gas phase. This work explores a new gas-phase formation mechanism for glycolaldehyde and compares the energy barrier reduction when the same route happens on the surface of amorphous ices. The first step of the mechanism involves the formation of a carbon–carbon bond between formaldehyde (H2CO) and the formyl radical (HCO), with an energy barrier of 27 kJ mol−1 (gas-phase). The second step consists of barrierless hydrogen addition. Density functional calculations under periodic boundary conditions were applied to study this reaction path on 10 different amorphous ice surfaces through an Eley–Rideal type mechanism. It was found that the energy barrier is reduced on average by 49 per cent, leading in some cases to a 100 per cent reduction. The calculated adsorption energy of glycolaldehyde suggests that it can be promptly desorbed to the gas phase after its formation. This work, thus contributes to explaining the detected relative abundances of glycolaldehyde and opens a new methodological framework for studying the formation routes for Complex Organic Molecules (COMs) in interstellar icy grains.
Influence of temperature on the chemical evolution and desorption of pure CO ices irradiated by cosmic-rays analogues
(Royal Astronomical Society) Pilling, Sergio; Mateus, Marcelo Silva; Ojeda González, Arian; Ferrão, Luiz Fernando de Araujo; Galvão, Breno R. L.; Boduch, Philippe; Rothard, Hermann
Carbon monoxide (CO) plays a vital role in interstellar chemistry, existing abundantly in both gaseous and frozen environments. Understanding the radiation-driven chemistry of CO-rich ices is crucial for comprehending the formation and desorption of C-bearing molecules in the interstellar medium (ISM), particularly considering the potential impact of temperature on these processes. We report experimental data on irradiation processing of pure CO ice by cosmic ray analogues (95.2 MeV 136Xe23+ ions) at temperatures of 10, 15, and 20 K, in the IGLIAS set-up coupled to the IRRSUD beamline at GANIL (Caen, France). The evolution of the irradiated frozen samples was monitored by infrared spectroscopy. The computational PROCODA code allows us to quantify the chemical evolution of the samples, determining effective reaction rates coefficients (ERCs), molecular abundances at the chemical equilibrium (CE) phase, and desorption processes. The model integrated 18 chemical species – 8 observed (CO, CO2, C3, O3, C2O, C3O, C3O2, and C5O3) and 10 non-observed but predicted (C, O, C2, O2, CO3, C4O, C5O, C2O2, C2O3, C4O2) – linked via 156 reactions. Our findings reveal temperature-driven influences on molecular abundances at chemical equilibrium, desorption yields and rates, and ERC values. Certain reaction routes exhibit distinct thermochemical behaviours of gas- and ice-phase reactions which may be attributed to the presence of neighbouring molecules within the ice matrix. This study provides pivotal insights into the chemical evolution of CO-enriched ice under irradiation, impacting solid-state astrochemistry, clarifying molecular abundances, and advancing our understanding of ISM chemistry and temperature effects on ionized radiation-processed frozen ices.
Laboratory investigation of x-ray photolysis of ethanol ice and its implication on astrophysical environments
(Universidade do Vale do Paraíba) Pilling, Sergio; Freitas, Fabricio Moreira
Here we present experimental results on the irradiation of ethanol ice (CH3CH2OH) by broadband soft X-rays to simulate the effect processing of organic-rich astrophysical ices by space radiation. This molecule was detected in the interstellar medium in molecular clouds like Sagittarius B2 and towards nebulas like Orion KL. The experiments were performed at the Brazilian Synchrotron Facility LNLS/CNPEM, at Campinas, SP. The frozen sample was analyzed in-situ by infrared spectroscopy (IR) in a simulated astrophysical environment at different radiation fluences. The results show the formation of several new molecular species such as CO2, CO, H2O, CH4, CH3(CO)CH3(acetone), and CH3COOH (acetic acid). We determined the effective destruction cross-section of ethanol (~1×10-18cm2) and the formation cross-sections of the daughter species with values between 0.5 to 3.4×10-18cm2. The chemical equilibrium phaseof ice was characterized and desorption yield induced by X-rays was determined (0.13 molecules photon-1). The result helps us to understand the photolysis induced by X-rays in organic-rich ices in space environments.
Mapping the evolution of pure CO2 ices irradiated by ions, UV, and electrons using the upgraded PROCODA code (employing an effective rate constant ordering by thermochemistry data)
(Elsevier) Pilling, Sergio; Rocha, Will Robson Monteiro; Carvalho, Geanderson Araújo; Abreu, Heitor Avelino de
Chemical reactions and desorption processes are being triggered by incoming ionizing radiation over astrophysical ices in cold space environments. The quantification of these processes is crucial to achieve a detailed understanding of the underlying chemistry occurring within the ice. With this goal, we have upgraded the PROCODA code (Pilling et al. 2022a) which solves a system of coupled differential equations and describes the evolution of the molecular abundances under processing by radiation, now including an effective rate constant (ERCs) ordering by employing thermochemistry data taken from literature. This methodology helps to identify the most important reactions within the reaction network and therefore decreases the degeneracy of the solutions and enhancing the accuracy of the calculations. Here, we described the chemical evolution of four irradiated pure CO2 considering 11 different chemical species, 100 reaction routes and 11 radiation-induced desorption processes. The best-fit models provide the effective rate constants, several desorption parameters, as well as, the characterization of the chemical equilibrium (CE) phase. A comparison with previous code version was given and indicates that the ordering of rate constants by thermochemistry data is more important when more energy is deposited in the ice. The current work present more realistic values for the effective rate constants and a better characterization of the CE phase, such data can be used to refine astrochemical models to better describe cold space environments in the presence of incoming ionizing radiation field such molecular clouds and protoplanetary regions and the surface of comets and frozen moons and planets.
Modeling the chemical evolution and kinetics of pure H2O Ices under various types of radiation employing the PROCODA code
(Elsevier) Silveira, Carolina Hahn da; Pilling, Sergio
Water is one of the most abundant molecules in space, especially in cold environments, where it is the main constituting of astrophysical ices. The space ionizing radiation affects these ices and induces chemical changes, including desorption to gas-phase, which increase the complexity of the interstellar medium. In this work, we employed the PROCODA code to investigate the behavior of several pure water ices under different type of ionizing radiation such as UV, X-rays, electrons and cosmic rays analogues. Here, we employ molecular column densities from laboratory and solved a set of coupled chemical reactions to calculated effective reaction rates (ERCs) and characterize the chemical equilibrium of water ices under high radiation fluences. Briefly, we monitored the evolution of nine species (including the observed ones H2O, H2O2, and O3, and the predicted ones H, O, H2, OH, O2, and HO2). A discussion on the branching ratio for the considered reactions with the type of ionizing radiation is provided. Among the results, we observed that approximately 63% of the modeled molecules quantified at chemical equilibrium were non-observed species in the X-rays experiment, highlighting the importance of this work in providing insights into the processes that occur on the surface of icy interstellar grains exposed to cosmic radiation, including the formation and destruction of water ice. Accurate modeling of these processes can lead to a better understanding of the chemical evolution of interstellar and circumstellar environments, as well as offer insight into the formation and composition of celestial objects such as comets.
Realistic energy deposition and temperature heating in molecular clouds due to cosmic rays: a computation simulation with the GEANT4 code employing light particles and medium-mass and heavy ions
(Royal Astronomical Society) Pilling, Sergio; Pazianotto, Maurício Tizziani; Souza, Lucas Alves de; Nascimento, Larissa Maciel do
In the interstellar medium, Galactic and extragalactic cosmic rays (CRs) penetrate deeper in the molecular clouds (MCs) and promote inside several physical and physicochemical changes due to the energy deposition, including gas and grain heating, and triggering also molecular destruction and formation. In this work, in an attempt to simulate, in a more realistic way, the energy delivered by CRs in a typical MC (mass ∼5400 M and size ∼106 au; mainly composed of H atoms), we combine the energy deposition of light particles and heavy ions, with the new calculations considering the medium-mass ions (3 ≤ Z ≤ 11). To execute the calculation, the Monte Carlo toolkit GEANT4 was applied to get the energy deposition rate per mass from many kinds of secondary particles, used in nuclear and hadron physics. The energy deposition by its induced cascade shower within the MC was characterized, as well as the relative energy deposition for all members of the medium-mass group. The results show that the incoming protons are the dominant source in the energy deposition and heating of the cloud, followed by alphas and electrons, with the medium-mass-ion and heavy-ion groups each contributing roughly 8 per cent. The current model also shows a temperature enhancement of up to 10 per cent in the external layers of the cloud (reaching 22.5 K) with respect to the previous calculations where only light particles were considered. However, neither heavy nor medium-mass ions contribute to the temperature enhancement in the deep core of the cloud.
Simulation of CH3OH ice UV photolysis under laboratory conditions
(EDP Sciences) Rocha, Will Robson Monteiro; Woitke, Peter; Pilling, Sergio; Thi, Wing-Fai; Jørgensen, Jes Kristian; Kristensen, Lars Egstrøm; Perotti, Giulia; Kamp, Inga
Context. Methanol is the most complex molecule that is securely identified in interstellar ices. It is a key chemical species for understanding chemical complexity in astrophysical environments. Important aspects of the methanol ice photochemistry are still unclear, such as the branching ratios and photodissociation cross sections at different temperatures and irradiation fluxes. Aims. This work aims at a quantitative agreement between laboratory experiments and astrochemical modelling of the CH3OH ice UV photolysis. Ultimately, this work allows us to better understand which processes govern the methanol ice photochemistry present in laboratory experiments. Methods. We used the code ProDiMo to simulate the radiation fields, pressures, and pumping efficiencies characteristic of laboratory measurements. The simulations started with simple chemistry consisting only of methanol ice and helium to mimic the residual gas in the experimental chamber. A surface chemical network enlarged by photodissociation reactions was used to study the chemical reactions within the ice. Additionally, different surface chemistry parameters such as surface competition, tunnelling, thermal diffusion, and reactive desorption were adopted to check those that reproduce the experimental results. Results. The chemical models with the code ProDiMo that include surface chemistry parameters can reproduce the methanol ice destruction via UV photodissociation at temperatures of 20, 30, 50, and 70 K as observed in the experiments. We also note that the results are sensitive to different branching ratios after photolysis and to the mechanisms of reactive desorption. In the simulations of a molecular cloud at 20 K, we observed an increase in the methanol gas abundance of one order of magnitude, with a similar decrease in the solid-phase abundance. Conclusions. Comprehensive astrochemical models provide new insights into laboratory experiments as the quantitative understanding of the processes that govern the reactions within the ice. Ultimately, these insights can help us to better interpret astronomical observations.
The Influence of Heavy Cosmic Rays in Energy Deposition in Molecular Clouds Employing the GEANT4 Code and Voyager I Data
(IOP science) Pilling, Sergio; Pazianotto, Maurício Tizziani; Souza, Lucas Alves de
Galactic and extragalactic cosmic rays fully illuminate and trigger several physical and physicochemical changes in molecular clouds (MCs), including gas and grain heating, molecular destruction and formation, and molecular and atomic desorption (sputtering) from dust/ices to gas phase. Besides the major component in cosmic ray inventory (in flux) being electrons, protons, and alphas, particles with larger atomic numbers have a higher rate of energy delivery (due to richer cosmic ray showers) than the lighter particles, and this may add extra energy input into MCs. To understand this issue, we perform complementary calculations to the previous work on MCs, now adding the heavy ions (12 ≤ Z ≤ 29) in the cosmic ray incoming inventory. Once more, the calculations were performed employing the Monte Carlo toolkit GEANT4 code (considering nuclear and hadron physics). We observe that most projectiles in the heavy ion group have lower deposited energies (roughly 10 times less) than iron with the exception of magnesium (Z = 12) and silicon (Z = 14) which are about double. Cobalt presents the lowest deposited energies with respect to iron (only 0.5%). The total energy deposition in the current model was only roughly 10% higher (outer layers) and virtually the same at the center of the cloud when compared with the previous model (with only protons + alphas + electrons sources). The results show that energy deposition by heavy ions is small compared with the values from light particles, and also suggest a very low temperature enhancement due to heavy ions within the MC, being the protons the dominant agent in the energy delivery and also in the cloud's heating.

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