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Eric Herbst

Publications and source records attributed to Eric Herbst.

At least 91 records · Page 5Linked to original sources

Herschel observations of EXtra-Ordinary Sources: Analysis of the HIFI 1.2 THz Wide Spectral Survey Toward Orion KL II. Chemical Implications

We present chemical implications arising from spectral models fit to the Herschel/HIFI spectral survey toward the Orion Kleinmann-Low nebula (Orion KL). We focus our discussion on the eight complex organics detected within the HIFI survey utilizing a novel technique to identify those molecules emitting in the hottest gas. In particular, we find the complex nitrogen bearing species CH$_{3}$CN, C$_{2}$H$_{3}$CN, C$_{2}$H$_{5}$CN, and NH$_{2}$CHO systematically trace hotter gas than the oxygen bearing organics CH$_{3}$OH, C$_{2}$H$_{5}$OH, CH$_{3}$OCH$_{3}$, and CH$_{3}$OCHO, which do not contain nitrogen. If these complex species form predominantly on grain surfaces, this may indicate N-bearing organics are more difficult to remove from grain surfaces than O-bearing species. Another possibility is that hot (T$_{\rm kin}$$\sim$300 K) gas phase chemistry naturally produces higher complex cyanide abundances while suppressing the formation of O-bearing complex organics. We compare our derived rotation temperatures and molecular abundances to chemical models, which include gas-phase and grain surface pathways. Abundances for a majority of the detected complex organics can be reproduced over timescales $\gtrsim$ 10$^{5}$ years, with several species being under predicted by less than 3$σ$. Derived rotation temperatures for most organics, furthermore, agree reasonably well with the predicted temperatures at peak abundance. We also find that sulfur bearing molecules which also contain oxygen (i.e. SO, SO$_{2}$, and OCS) tend to probe the hottest gas toward Orion KL indicating the formation pathways for these species are most efficient at high temperatures.

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Herschel observations of interstellar chloronium. II - Detections toward G29.96-0.02, W49N, W51, and W3(OH), and determinations of the ortho-to-para and $^{35}$Cl/$^{37}$Cl isotopic ratios

We report additional detections of the chloronium molecular ion, H$_2$Cl$^+$, toward four bright submillimeter continuum sources: G29.96, W49N, W51, and W3(OH). With the use of the HIFI instrument on the Herschel Space Observatory, we observed the $2_{12}-1_{01}$ transition of ortho-H$_2^{35}$Cl$^+$ at 781.627 GHz in absorption toward all four sources. Much of the detected absorption arises in diffuse foreground clouds that are unassociated with the background continuum sources and in which our best estimates of the $N({\rm H_2Cl^+})/N({\rm H})$ ratio lie in the range $(0.9 - 4.8) \times 10^{-9}$. These chloronium abundances relative to atomic hydrogen can exceed the predictions of current astrochemical models by up to a factor of 5. Toward W49N, we have also detected the $2_{12}-1_{01}$ transition of ortho-H$_2^{37}$Cl$^+$ at 780.053 GHz and the $1_{11}-0_{00}$ transition of para-H$_2^{35}$Cl$^+$ at 485.418 GHz. These observations imply $\rm H_2^{35}Cl^+/H_2^{37}Cl^+$ column density ratios that are consistent with the solar system $^{35}$Cl/$^{37}$Cl isotopic ratio of 3.1, and chloronium ortho-to-para ratios consistent with 3, the ratio of spin statistical weights.

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A New and Simple Approach to Determine the Abundance of Hydrogen Molecules on Interstellar Ice Mantles

Water is usually the main component of ice mantles, which cover the cores of dust grains in cold portions of dense interstellar clouds. When molecular hydrogen is adsorbed onto an icy mantle through physisorption, a common assumption in gas-grain rate equation models is to use an adsorption energy for molecular hydrogen on a pure water substrate. However, at high density and low temperature, when H2 is efficiently adsorbed onto the mantle, its surface abundance can be strongly overestimated if this assumption is still used. Unfortunately, the more detailed microscopic Monte Carlo treatment cannot be used to study the abundance of H2 in ice mantles if a full gas-grain network is utilized. We present a numerical method adapted for rate-equation models that takes into account the possibility that an H2 molecule can, while diffusing on the surface, find itself bound to another hydrogen molecule, with a far weaker bond than the H2-water bond, which can lead to more efficient desorption. We label the ensuing desorption "encounter desorption". The method is implemented first in a simple system consisting only of hydrogen molecules at steady state between gas and dust using the rate-equation approach and comparing the results with the results of a microscopic Monte Carlo calculation. We then discuss the use of the rate-equation approach with encounter desorption embedded in a complete gas-grain chemical network. For both systems, the rate-equation model with encounter desorption reproduces the H2 granular coverage computed by the microscopic Monte Carlo model. The method is especially useful for dense and cold environments, and for time-dependent physical conditions, such as occur in the collapse of dense cores and the formation of protoplanetary disks. It is not significantly CPU time consuming, so can be used for example with complex 3D chemical-hydrodynamical simulations.

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A Multi-Transition Study of Molecules toward NGC 1068 based on High-Resolution Imaging Observations with ALMA

We present 0.8-mm band molecular images and spectra obtained with the Atacama Large Millimeter/submillimeter Array (ALMA) toward one of the nearest galaxies with an active galactic nucleus (AGN), NGC 1068. Distributions of CO isotopic species ($^{13}$CO and C$^{18}$O) $\it{J}$ = 3--2, CN $\it{N}$ = 3--2 and CS $\it{J}$ = 7--6 are observed toward the circumnuclear disk (CND) and a part of the starburst ring with an angular resolution of $\sim$1.$^{\prime\prime}$3 $\times$ 1.$^{\prime\prime}$2. The physical properties of these molecules and shock-related molecules such as HNCO, CH$_{3}$CN, SO, and CH$_{3}$OH detected in the 3-mm band were estimated using rotation diagrams under the assumption of local thermodynamic equilibrium. The rotational temperatures of the CO isotopic species and the shock-related molecules in the CND are, respectively, 14--22 K and upper limits of 20--40 K. Although the column densities of the CO isotopic species in the CND are only from one-fifth to one-third of that in the starburst ring, those of the shock-related molecules are enhanced by a factor of 3--10 in the CND. We also discuss the chemistry of each species, and compare the fractional abundances in the CND and starburst ring with those of Galactic sources such as cold cores, hot cores, and shocked molecular clouds in order to study the overall characteristics. We find that the abundances of shock-related molecules are more similar to abundances in hot cores and/or shocked clouds than to cold cores. The CND hosts relatively complex molecules, which are often associated with shocked molecular clouds or hot cores. Because a high X-ray flux can dissociate these molecules, they must also reside in regions shielded from X-rays.

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Water deuterium fractionation in the high-mass star-forming region G34.26+0.15 based on Herschel/HIFI data

Understanding water deuterium fractionation is important for constraining the mechanisms of water formation in interstellar clouds. Observations of HDO and H$_2^{18}$O transitions were carried out towards the high-mass star-forming region G34.26+0.15 with the HIFI instrument onboard the Herschel Space Observatory, as well as with ground-based single-dish telescopes. Ten HDO lines and three H$_2^{18}$O lines covering a broad range of upper energy levels (22-204 K) were detected. We used a non-LTE 1D analysis to determine the HDO/H$_2$O ratio as a function of radius in the envelope. Models with different water abundance distributions were considered in order to reproduce the observed line profiles. The HDO/H$_2$O ratio is found to be lower in the hot core ($\sim$3.5 $\times$ 10$^{-4}$ - 7.5 $\times$ 10$^{-4}$) than in the colder envelope ($\sim$1.0 $\times$ 10$^{-3}$ - 2.2 $\times$ 10$^{-3}$). This is the first time that a radial variation of the HDO/H$_2$O ratio has been found to occur in a high-mass source. The chemical evolution of this source was modeled as a function of its radius and the observations are relatively well reproduced. The comparison between the chemical model and the observations leads to an age of $\sim$10$^5$ years after the infrared dark cloud stage.

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Complex organic molecules along the accretion flow in isolated and externally irradiated protoplanetary disks

(Abridged) The birth environment of the Sun will have influenced the conditions in the pre-solar nebula, including the attainable chemical complexity, important for prebiotic chemistry. The formation and distribution of complex organic molecules (COMs) in a disk around a T Tauri star is investigated for two scenarios: (i) an isolated disk, and (ii) a disk irradiated externally by a nearby massive star. The chemistry is calculated along the accretion flow from the outer disk inwards using a comprehensive network. Two simulations are performed, one beginning with complex ices and one with simple ices only. For the isolated disk, COMs are transported without major alteration into the inner disk where they thermally desorb into the gas reaching an abundance representative of the initial assumed ice abundance. For simple ices, COMs efficiently form on grain surfaces under the conditions in the outer disk. Gas-phase COMs are released into the molecular layer via photodesorption. For the irradiated disk, complex ices are also transported inwards; however, they undergo thermal processing caused by the warmer conditions in the irradiated disk which tends to reduce their abundance along the accretion flow. For simple ices, grain-surface chemistry cannot synthesise COMs in the outer disk because the necessary grain-surface radicals, which tend to be particularly volatile, are not sufficiently abundant on the grain surfaces. Gas-phase COMs are formed in the inner region of the irradiated disk via gas-phase chemistry induced by the desorption of strongly bound molecules such as methanol; hence, the abundances are not representative of the initial molecular abundances injected into the outer disk. These results suggest that the composition of comets formed in isolated disks may differ from those formed in externally irradiated disks with the latter composed of more simple ices.

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Distributions of molecules in the circumnuclear disk and surrounding starburst ring in the Seyfert galaxy NGC 1068 observed with ALMA

Sensitive observations with ALMA allow astronomers to observe the detailed distributions of molecules with relatively weak intensity in nearby galaxies. In particular, we report distributions of several molecular transitions including shock and dust related species ($^{13}$CO $J$ = 1--0, C$^{18}$O $J$ = 1--0, $^{13}$CN $N$ = 1--0, CS $J$ = 2--1, SO $J_N$ = 3$_2$--2$_1$, HNCO $J_{Ka,Kc}$ = 5$_{0,5}$--4$_{0,4}$, HC$_3$N $J$ = 11--10, 12--11, CH$_3$OH $J_K$ = 2$_K$--1$_K$, and CH$_3$CN $J_K$ = 6$_K$--5$_K$) in the nearby Seyfert 2 galaxy NGC 1068 observed with the ALMA early science program. The central $\sim$1 arcmin ($\sim$4.3 kpc) of this galaxy was observed in the 100 GHz region covering $\sim$96--100 GHz and $\sim$108--111 GHz with an angular resolution of $\sim4"\times2"$ (290 pc$\times$140 pc) to study the effects of an active galactic nucleus and its surrounding starburst ring on molecular abundances. Here, we present images and report a classification of molecular distributions into three main categories: (1) Molecules concentrated in the circumnuclear disk (CND) (SO $J_N$ = 3$_2$--2$_1$, HC$_3$N $J$ = 11--10, 12--11, and CH$_3$CN $J_K$ = 6$_K$--5$_K$), (2) Molecules distributed both in the CND and the starburst ring (CS $J$ = 2--1 and CH$_3$OH $J_K$ = 2$_K$--1$_K$), (3) Molecules distributed mainly in the starburst ring ($^{13}$CO $J$ = 1--0 and C$^{18}$O $J$ = 1--0). Since most of the molecules such as HC$_3$N observed in the CND are easily dissociated by UV photons and X-rays, our results indicate that these molecules must be effectively shielded. In the starburst ring, the relative intensity of methanol at each clumpy region is not consistent with those of $^{13}$CO, C$^{18}$O, and CS. This difference is probably caused by the unique formation and destruction mechanisms of CH$_3$OH.

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The HNC/HCN Ratio in Star-Forming Regions

HNC and HCN, typically used as dense gas tracers in molecular clouds, are a pair of isomers that have great potential as a temperature probe because of temperature dependent, isomer-specific formation and destruction pathways. Previous observations of the HNC/HCN abundance ratio show that the ratio decreases with increasing temperature, something that standard astrochemical models cannot reproduce. We have undertaken a detailed parameter study on which environmental characteristics and chemical reactions affect the HNC/HCN ratio and can thus contribute to the observed dependence. Using existing gas and gas-grain models updated with new reactions and reaction barriers, we find that in static models the H + HNC gas-phase reaction regulates the HNC/HCN ratio under all conditions, except for very early times. We quantitively constrain the combinations of H abundance and H + HNC reaction barrier that can explain the observed HNC/HCN temperature dependence and discuss the implications in light of new quantum chemical calculations. In warm-up models, gas-grain chemistry contributes significantly to the predicted HNC/HCN ratio and understanding the dynamics of star formation is therefore key to model the HNC/HCN system.

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Complex organic molecules in protoplanetary disks

(Abridged) Protoplanetary disks are vital objects in star and planet formation, possessing all the material which may form a planetary system orbiting the new star. We investigate the synthesis of complex organic molecules (COMs) in disks to constrain the achievable chemical complexity and predict species and transitions which may be observable with ALMA. We have coupled a 2D model of a protoplanetary disk around a T Tauri star with a gas-grain chemical network including COMs. We compare compare synthesised line intensities and calculated column densities with observations and determine those COMs which may be observable in future. COMs are efficiently formed in the disk midplane via grain-surface chemical reactions, reaching peak grain-surface fractional abundances 1e-6 - 1e-4 that of the H nuclei number density. COMs formed on grain surfaces are returned to the gas phase via non-thermal desorption; however, gas-phase species reach lower fractional abundances than their grain-surface equivalents, 1e-12 - 1e-7. Including the irradiation of grain mantle material helps build further complexity in the ice through the replenishment of grain-surface radicals which take part in further grain-surface reactions. There is reasonable agreement with several line transitions of H2CO observed towards several T Tauri star-disk systems. The synthesised line intensities for CH3OH are consistent with upper limits determined towards all sources. Our models suggest CH3OH should be readily observable in nearby protoplanetary disks with ALMA; however, detection of more complex species may prove challenging. Our grain-surface abundances are consistent with those derived from cometary comae observations providing additional evidence for the hypothesis that comets (and other planetesimals) formed via the coagulation of icy grains in the Sun's natal disk.

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Interstellar water chemistry: from laboratory to observations

Water is observed throughout the universe, from diffuse interstellar clouds to protoplanetary disks around young stars, and from comets in our own solar system and exoplanetary atmospheres to galaxies at high redshifts. This review summarizes the spectroscopy and excitation of water in interstellar space as well as the basic chemical processes that form and destroy water under interstellar conditions. Three major routes to water formation are identified: low temperature ion-molecule chemistry, high-temperature neutral-neutral chemistry and gas-ice chemistry. The rate coefficients of several important processes entering the networks are discussed in detail; several of them have been determined only in the last decade through laboratory experiments and theoretical calculations. Astronomical examples of each of the different chemical routes are presented using data from powerful new telescopes, in particular the Herschel Space Observatory. Basic chemical physics studies remain critically important to analyze astronomical data.

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Astrochemistry: Synthesis and Modelling

We discuss models that astrochemists have developed to study the chemical composition of the interstellar medium. These models aim at computing the evolution of the chemical composition of a mixture of gas and dust under as- trophysical conditions. These conditions, as well as the geometry and the physical dynamics, have to be adapted to the objects being studied because different classes of objects have very different characteristics (temperatures, densities, UV radia- tion fields, geometry, history etc); e.g., proto-planetary disks do not have the same characteristics as protostellar envelopes. Chemical models are being improved continually thanks to comparisons with observations but also thanks to laboratory and theoretical work in which the individual processes are studied.

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Deep observations of O2 toward a low-mass protostar with Herschel-HIFI

According to traditional gas-phase chemical models, O2 should be abundant in molecular clouds, but until recently, attempts to detect interstellar O2 line emission with ground- and space-based observatories have failed. Following the multi-line detections of O2 with low abundances in the Orion and rho Oph A molecular clouds with Herschel, it is important to investigate other environments, and we here quantify the O2 abundance near a solar-mass protostar. Observations of O2, at 487 GHz toward a deeply embedded low-mass Class 0 protostar, NGC 1333-IRAS 4A, are presented, using the HIFI instrument on the Herschel Space Observatory. Complementary data of the chemically related NO and CO molecules are obtained as well. The high spectral resolution data are analysed using radiative transfer models to infer column densities and abundances, and are tested directly against full gas-grain chemical models. The deep HIFI spectrum fails to show O2 at the velocity of the dense protostellar envelope, implying one of the lowest abundance upper limits of O2/H2 at <6x10^-9 (3 sigma). However, a tentative (4.5 sigma) detection of O2 is seen at the velocity of the surrounding NGC 1333 molecular cloud, shifted by 1 km/s relative to the protostar. For the protostellar envelope, pure gas-phase models and gas-grain chemical models require a long pre-collapse phase (~0.7-1x10^6 years), during which atomic and molecular oxygen are frozen out onto dust grains and fully converted to H2O, to avoid overproduction of O2 in the dense envelope. The same model also reproduces the limits on the chemically related NO molecule. The tentative detection of O2 in the surrounding cloud is consistent with a low-density PDR model with small changes in reaction rates. The low O2 abundance in the collapsing envelope around a low-mass protostar suggests that the gas and ice entering protoplanetary disks is very poor in O2.

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Reactive Desorption and Radiative Association as Possible Drivers of Complex Molecule Formation in the Cold Interstellar Medium

The recent discovery of terrestrial-type organic species such as methyl formate and dimethyl ether in the cold interstellar gas has proved that the formation of organic matter in the Galaxy begins at a much earlier stage of star formation than was thought before. This discovery represents a challenge for astrochemical modelers. The abundances of these molecules cannot be explained by the previously developed "warm-up" scenario, in which organic molecules are formed via diffusive chemistry on surfaces of interstellar grains starting at 30 K, and then released to the gas at higher temperatures during later stages of star formation. In this article, we investigate an alternative scenario in which complex organic species are formed via a sequence of gas-phase reactions between precursor species formed on grain surfaces and then ejected into the gas via efficient reactive desorption, a process in which non-thermal desorption occurs as a result of conversion of the exothermicity of chemical reactions into the ejection of products from the surface. The proposed scenario leads to reasonable if somewhat mixed results at temperatures as low as 10 K and may be considered as a step towards the explanation of abundances of terrestrial-like organic species observed during the earliest stages of star formation.

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Modeling The Molecular Composition in an AGN Disk

We use a high-temperature chemical network to derive the molecular abundances in axisymmetric accretion disk models around active galactic nuclei (AGNs) within 100 pc using simple radial and vertical density and temperature distributions motivated by more detailed physical models. We explore the effects of X-ray irradiation and cosmic ray ionization on the spatial distribution of the molecular abundances of CO, CN, CS, HCN, HCO+, HC3N, C2H, and c-C3H2 using a variety of plausible disk structures. These simple models have molecular regions with a layer of X-ray dominated regions, a midplane without the strong influence of X-rays, and a high-temperature region in the inner portion with moderate X-ray flux where families of polyynes (C$_{\rm n}$H$_{2}$) and cyanopolyynes can be enhanced. For the high midplane density disks we explore, we find that cosmic rays produced by supernovae do not significantly affect the regions unless the star formation efficiency significantly exceeds that of the Milky Way. We highlight molecular abundance observations and ratios that may distinguish among theoretical models of the density distribution in AGN disks. Finally, we assess the importance of the shock crossing time and the accretion time relative to the formation time for various chemical species. Vertical column densities are tabulated for a number of molecular species at both the characteristic shock crossing time and steady state. Although we do not attempt to fit any particular system or set of observations, we discuss our models and results in the context of the nearby AGN NGC 1068.

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From Prestellar to Protostellar Cores II. Time Dependence and Deuterium Fractionation

We investigate the molecular evolution and D/H abundance ratios that develop as star formation proceeds from a dense-cloud core to a protostellar core, by solving a gas-grain reaction network applied to a 1-D radiative hydrodynamic model with infalling fluid parcels. Spatial distributions of gas and ice-mantle species are calculated at the first-core stage, and at times after the birth of a protostar. Gas-phase methanol and methane are more abundant than CO at radii $r\lesssim 100$ AU in the first-core stage, but gradually decrease with time, while abundances of larger organic species increase. The warm-up phase, when complex organic molecules are efficiently formed, is longer-lived for those fluid parcels in-falling at later stages. The formation of unsaturated carbon chains (warm carbon-chain chemistry) is also more effective in later stages; C$^+$, which reacts with CH$_4$ to form carbon chains, increases in abundance as the envelope density decreases. The large organic molecules and carbon chains are strongly deuterated, mainly due to high D/H ratios in the parent molecules, determined in the cold phase. We also extend our model to simulate simply the chemistry in circumstellar disks, by suspending the 1-D infall of a fluid parcel at constant disk radii. The species CH$_3$OCH$_3$ and HCOOCH$_3$ increase in abundance in $10^4-10^5$ yr at the fixed warm temperature; both also have high D/H ratios.

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A Unified Microscopic-Macroscopic Monte Carlo Simulation of Gas-Grain Chemistry in Cold Dense Interstellar Clouds

For the first time, we report a unified microscopic-macroscopic Monte Carlo simulation of gas-grain chemistry in cold interstellar clouds in which both the gas-phase and the grain surface chemistry are simulated by a stochastic technique. The surface chemistry is simulated with a microscopic Monte Carlo method in which the chemistry occurs on an initially flat surface. The surface chemical network consists of 29 reactions initiated by the accreting species H, O, C, and CO. Four different models are run with diverse but homogeneous physical conditions including temperature, gas density, and diffusion-barrier-to-desorption energy ratio. As time increases, icy interstellar mantles begin to grow. Our approach allows us to determine the morphology of the ice, layer by layer, as a function of time, and to ascertain the environment or environments for individual molecules. Our calculated abundances can be compared with observations of ices and gas-phase species, as well as the results of other models.

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Carbon-Chain Species in Warm-up Models

In previous warm-up chemical models of the low-mass star-forming region L1527, we investigated the evolution of carbon-chain unsaturated hydrocarbon species when the envelope temperature is slightly elevated to $T\approx 30$ K. These models demonstrated that enhanced abundances of such species can be explained by gas-phase ion-molecule chemistry following the partial sublimation of methane from grain surfaces. We also concluded that the abundances of hydrocarbon radicals such as the C$_{\rm n}$H family should be further enhanced as the temperatures increase to higher values, but this conclusion stood in contrast with the lack of unambiguous detection of these species toward hot core and corino sources. Meanwhile, observational surveys have identified C$_2$H, C$_4$H, CH$_3$CCH, and CH$_3$OH toward hot corinos (especially IRAS 16293-2422) as well as towards L1527, with lower abundances for the carbon chain radicals and higher abundances for the other two species toward the hot corinos. In addition, the {\it Herschel Space Telescope} has detected the bare linear chain C$_3$ in 50 K material surrounding young high-mass stellar objects. To understand these new results, we revisit previous warm-up models with an augmented gas-grain network that incorporated reactions from a gas-phase network that was constructed for use with increased temperature up to 800 K. Some of the newly adopted reactions between carbon-chain species and abundant H$_2$ possess chemical activation energy barriers. The revised model results now better reproduce the observed abundances of unsaturated carbon chains under hot-corino (100 K) conditions and make predictions for the abundances of bare carbon chains in the 50 K regions observed by Herschel HIFI.

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Propagation of Low-Energy Cosmic Rays in Molecular Clouds: Calculations in Two Dimensions

We calculate cosmic ray transport with a collisional Boltzmann Transport Equation, including E-M forces. We apply the Crank-Nicholson Method to solve this equation. At each time step, the spatial distribution of cosmic rays is applied to the ZEUS 2D magnetohydrodynamics model, which is then utilized to calculate the resulting E-M field. Finally, the field is applied to the initial equation. This sequence is repeated over many time steps until a steady state is reached. We consider results from t = 0 until steady state for an isotropic low energy cosmic ray flux, and also for an enhanced cosmic ray flux impinging on one side of a molecular cloud. This cosmic ray flux is used to determine an ionization rate of interstellar hydrogen by cosmic rays, zeta. Astrochemical implications are briefly mentioned.

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