arXiv subjects

Qiang Chang

Publications and source records attributed to Qiang Chang.

At least 19 recordsLinked to original sources

arXiv2024

Modeling Complex Organic Molecules Formation in Cold Cores: Multi-phase Models with Non-thermal Mechanisms

In recent years, a significant number of oxygen-bearing complex organic molecules (COMs) have been detected in the gas phase of cold dark clouds such as TMC-1. The formation of these COMs cannot be explained by diffusive mechanisms on grains and gas phase reactions. This study investigates the formation of oxygen-bearing COMs in cold dark clouds using multiphase gas-grain models that incorporate cosmic ray-induced non-diffusive radiation chemistry and non-thermal sputtering desorption mechanisms. Additionally, we present the effects of varying elemental C/O ratio and different sputtering rates. We utilized an accelerated Gillespie algorithm, based on the regular Gillespie algorithm. The results of our models for dimethyl ether (CH3OCH3), methyl formate (HCOOCH3), acetaldehyde (CH3CHO), ethanol (C2H5OH), and methanol (CH3OH) show reasonable agreement with observations toward TMC-1, within a factor of 3. Out of the 94 species compared with observations, 63 show agreement within 1 order of magnitude, accounting for 67.02%. Overall inclusion of non-thermal mechanisms in multi-phase models shows notable improvement of modeling on oxygen-bearing COMs in the interstellar medium.

astro-ph.GA↗

arXiv2024

A $\lambda$ 3 mm line survey towards the circumstellar envelope of the carbon-rich AGB star IRC+10216 (CW Leo)

We present an unbiased $\lambda$ 3 mm spectral line survey (between 84.5 and 115.8 GHz), conducted by the Purple Mountain Observatory 13.7 meter radio telescope, together with updated modeling results, towards the carbon-rich Asymptotic Giant Branch star, IRC+10216 (CW Leo). A total of 75 spectral lines (96 transitions) are detected, and identified to arise from 19 molecules: C$_2$H, $l$-C$_3$H, C$_4$H, CN, C$_3$N, HC$_3$N, HC$_5$N, HCN, HNC, CH$_3$CN, MgNC, CO, $c$-C$_3$H$_2$, SiC$_2$, SiO, SiS, CS, C$_2$S, C$_3$S, and their isotopologues. Among them, one molecular emission line (H$^{13}$CCCN $J=13-12$) is discovered in IRC+10216 for the first time. The excitation temperature, column density, and fractional abundance of the detected species are deduced by assuming they are in local thermodynamic equilibrium. In addition, the isotopic ratios of [$^{12}$C]/[$^{13}$C], [$^{32}$S]/[$^{34}$S], [$^{28}$Si]/[$^{29}$Si], and [$^{12}$C$^{34}$S]/[$^{13}$C$^{32}$S] are obtained and found to be consistent with previous studies. Finally, we summarize all of the 106 species detected in IRC+10216 to date with their observed and modeled column densities for the convenience of future studies.

astro-ph.SR↗

arXiv2023

Coverage Dependent H$_2$ Desorption Energy: a Quantitative Explanation Based on Encounter Desorption Mechanism

Recent experiments show that the desorption energy of H$_2$ on a diamond-like carbon (DLC) surface depends on the H$_2$ coverage of the surface. We aim to quantitatively explain the coverage dependent H$_2$ desorption energy measured by the experiments. We derive a math formula to calculate an effective H$_2$ desorption energy based on the encounter desorption mechanism. The effective H$_2$ desorption energy depends on two key parameters, the desorption energy of H$_2$ on H$_2$ substrate and the ratio of H$_2$ diffusion barrier to its desorption energy. The calculated effective H$_2$ desorption energy qualitatively agrees with the coverage dependent H$_2$ desorption energy measured by the experiments if the values of these two parameters in literature are used in the calculations. We argue that the difference between the effective H$_2$ desorption energy and the experimental results is due to the lacking of knowledge about these two parameters. So, we recalculate these two parameters based on experimental data. Good agreement between theoretical and experimental results can be achieved if these two updated parameters are used in the calculations.

astro-ph.GA↗

arXiv2023

Photochemical origin of SiC$_2$ in the circumstellar envelope of carbon-rich AGB stars revealed by ALMA

Whether SiC$_2$ is a parent species, that is formed in the photosphere or as a by-product of high-temperature dust formation, or a daughter species, formed in a chemistry driven by the photodestruction of parent species in the outer envelope, has been debated for a long time. Here, we analyze the ALMA observations of four SiC$_2$ transitions in the CSEs of three C-rich AGB stars (AI Vol, II Lup, and RAFGL 4211), and found that SiC$_2$ exhibits an annular, shell-like distribution in these targets, suggesting that SiC$_2$ can be a daughter species in the CSEs of carbon-rich AGB stars. The results can provide important references for future chemical models.

astro-ph.SR↗

arXiv2022

Complex Organic Molecules Formation in Cold Cores on Stochastically Heated Grains

We investigate the roles of stochastic grain heating in the formation of complex organic molecules (COMs) in cold cores, where COMs have been detected. Two different types of grain-size distributions are used in the chemical models. The first one is the MRN distribution, and the second one considers grain coagulation to study its effects on the chemical evolution in these environments. The macroscopic Monte Carlo method is used to perform the two-phase chemical model simulations. We find that (1) grain coagulation can affect certain gas-phase species, such as CO$_2$ and N$_2$H$^+$, in the cold core environments, which can be attributed to the volatile precursors originating from the small grains with temperature fluctuations; (2) grains with radii around 4.6 $\times$ 10$^{-3}$ $\mu$m contribute most to the production of COMs on dust grains under cold core conditions, while few species can be formed on even smaller grains with radii less than 2 $\times$ 10$^{-3}$ $\mu$m; (3) COMs formed on stochastically heated grains could help explain the observed abundances of gas-phase COMs in cold cores.

astro-ph.GA↗

arXiv2022

A large deviation approach to superstatistics: thermodynamic duality symmetry between conjugate variables

Superstatistics generalizes Boltzmann statistics by assuming spatio-temporal fluctuations of the intensive variables. It has many applications in the analysis of experimental and simulated data. The fluctuation of the intensity variable is the key to the validity of superstatistical theory, but the law of its distribution is still unclear. In the framework of large deviation theory, we show that the fluctuation of the intensive variable of superstatistics emerges naturally from measurements in the large data limit. Combining Bayes' theorem, we demonstrate the conditional probability distribution of the intensity variable also follows the Boltzmann statistics and the conjugate variable of the intensive variable is the extensive variable, indicating a thermodynamic duality symmetry between conjugate variables in the superstatistical systems. A new thermodynamic relation between the entropy functions of conjugate variables is obtained. We utilized a simple Ising model with fluctuating temperature to verify the dual relationship between temperature and energy. Our work may contribute to the understanding of statistical physics in complex systems and Bayesian inference.

cond-mat.stat-mech↗

arXiv2022

Effect of surface H$_2$ on molecular hydrogen formation on interstellar grains

We investigate how the existence of hydrogen molecules on grain surfaces may affect H$_2$ formation efficiency in diffuse and translucent clouds. Hydrogen molecules are able to reduce the desorption energy of H atoms on grain surfaces in models. The detailed microscopic Monte Carlo method is used to perform model simulations. We found that the impact of the existence of H$_2$ on H$_2$ formation efficiency strongly depends on the diffusion barriers of H$_2$ on grain surfaces. Diffuse cloud models that do not consider surface H$_2$ predict that H atom recombination efficiency is above 0.5 over a grain temperature (T) range 10 K and 14 K. The adopted H$_2$ diffusion barriers in diffuse cloud models that consider surface H$_2$ are 80$\%$ H$_2$ desorption energies so that H$_2$ can be trapped in stronger binding sites. Depending on model parameters, these diffuse cloud models predict that the recombination efficiency is between nearly 0 and 0.5 at 10 K $\leq$ T $\leq$ 14 K. Translucent cloud model results show that H$_2$ formation efficiency is not affected by the existence of surface H$_2$ if the adopted average H$_2$ diffusion barrier on grain surfaces is low (194 K) so that H$_2$ can diffuse rapidly on grain surfaces. However, the recombination efficiency can drop to below 0.002 at T $\geq$ 10 K if higher average H$_2$ diffusion barrier is used (255 K) in translucent cloud models.

astro-ph.GA↗

arXiv2022

Chemical variations across the TMC-1 boundary: molecular tracers from translucent phase to dense phase

We investigated the chemical evolutions of gas phase and grain surface species across the Taurus molecular cloud-1 (TMC-1) filament from translucent phase to dense phase. By comparing observations with modeling results from an up-to-date chemical network, we examined the conversion processes for the carbon-, oxygen-, nitrogen- and sulfur-bearing species, i.e.from their initial atomic form to their main molecular reservoir form both in the gas phase and on the grain surface. The conversion processes were found to depend on the species and A$_V$. The effect of initial carbon to oxygen elemental abundances ratio (C/O) by varying O on the chemistry was explored, and an initial carbon elemental abundance of 2.5 $\times$ 10$^{-4}$ and a C/O ratio of 0.5 could best reproduce the abundances of most observed molecules at TMC-1 CP, where more than 90 molecules have been identified. Based on the TMC-1 condition, we predicted a varied grain ice composition during the evolutions of molecular clouds, with H$_2$O ice as the dominant ice composition at A$_V$ $>$ 4 mag, CO$_2$ ice as the dominant ice composition at A$_V$ $<$ 4 mag, while CO ice severely decreased at A$_V$ around 4--5 mag.

astro-ph.GA↗

arXiv2020

On the Encounter Desorption of Hydrogen Atoms on Ice Mantle

At low temperatures (10 K), hydrogen atoms can diffuse quickly on grain ice mantles and frequently encounter hydrogen molecules, which cover a notable fraction of grain surface. The desorption energy of H atoms on H2 substrates is much less than that on water ice. The H atom encounter desorption mechanism is adopted to study the enhanced desorption of H atoms on H2 substrates. Using a small reaction network, we show that the steady-state surface H abundances predicted by the rate equation model that includes H atom encounter desorption agree reasonably well with the results from the more rigorous microscopic Monte Carlo method. For a full gas-grain model, H atom encounter desorption can reduce surface H abundances. Therefore, if a model adopts the encounter desorption of H atoms, it becomes more difficult for hydrogenation products such as methanol to form, but it is easier for C, O and N atoms to bond with each other on grain surfaces.

astro-ph.SR↗

arXiv2020

Three dimensional projection effects on chemistry in a Planck galactic cold clump

Offsets of molecular line emission peaks from continuum peaks are very common but frequently difficult to explain with a single spherical cloud chemical model. We propose that the spatial projection effects of an irregular three dimensional (3D) cloud structure can be a solution. This work shows that the idea can be successfully applied to the Planck cold clump G224.4-0.6 by approximating it with four individual spherically symmetric cloud cores whose chemical patterns overlap with each other to produce observable line maps. With the empirical physical structures inferred from the observation data of this clump and a gas-grain chemical model, the four cores can satisfactorily reproduce its 850 $μ$m continuum map and the diverse peak offsets of CCS, HC$_3$N and N$_2$H$^+$ simultaneously at chemical ages of about $8\times 10^5\sim 3\times 10^6$ yrs. The 3D projection effects on chemistry has the potential to explain such asymmetrical distributions of chemicals in many other molecular clouds.

astro-ph.GA↗

arXiv2019

Modelling carbon-chain species formation in lukewarm corinos with new multi-phase models

Abundant carbon-chain species have been observed towards lukewarm corinos L1527, B228, and L483. These carbon-chain species are believed to be synthesized in the gas phase after CH$_4$ desorbs from the dust grain surface at the temperature around 30 K. We investigate carbon-chain species formation in lukewarm corinos using a more rigorous numerical method and advanced surface chemical models. We use the macroscopic Monte Carlo method in simulations. In addition to the two-phase model, the basic multiphase model and the new multiphase models are used for modeling surface chemistry on dust grains. All volatile species can sublime at their sublimation temperatures in the two-phase model while most volatile species are frozen in the ice mantle before water ice sublimes in the basic and the new multiphase models. The new multiphase models allow more volatile species to sublime at their sublimation temperatures than the basic multiphase model does. When T $\sim$ 30 K, the abundances of gaseous CH$_4$ and CO in the two-phase model are the highest while the basic multiphase model predicts the lowest CO and CH$_4$ abundances among all models. The abundances of carbon-chain species in the basic and the new multiphase models are lower than that in the two-phase model when T $\sim$ 30 K because CH$_4$ is crucial for the synthesis of carbon-chain species. The two-phase model performs the best to predict carbon-chain species abundances to fit observations while the basic multiphase model works the worst. The abundances of carbon-chain species predicted by the new multiphase models agree reasonably well with observations. The amount of CH$_4$ that can diffuse inside the ice mantle, thus sublime upon warm-up plays a crucial role in the synthesis of carbon-chain species in the gas phase. The carbon-chain species observed in lukewarm corinos may be able to gauge surface chemical models.

astro-ph.GA↗

arXiv2018

The Chemical Evolution from Prestellar to Protostellar Cores: A New Multiphase Model With Bulk Diffusion and Photon Penetration

We investigate the chemical evolution of a collapsing core that starts from a hydrostatic core and finally form a low-mass protostar. New multiphase gas-grain models that include bulk diffusion and photon penetration are simulated by the macroscopic Monte Carlo method in order to derive the chemical evolution. There are two types of species in the ice bulk in the new multiphase models. Interstitial species can diffuse and sublime at their own sublimation temperatures while normal species are locked in the ice bulk. Photodissociation rates of icy species are reduced by the exponential decay of UV flux within the ice mantle. Two-phase models and basic multiphase models without bulk diffusion and photon penetration are also simulated for comparison. Our physical model for the collapsing core is base on a one-dimensional radiation hydrodynamics model. Abundant icy radicals are produced at around 10 K in the new multiphase models. Interstitial radicals can diffuse inside ice mantles to form complex organic molecules (COMS) upon warming-up. Thus, COMs produced by radical recombination at higher temperatures in the new multiphase models are more than one order of magnitude higher than those in the two-phase and basic multiphase models. Moreover, COMs produced at around 10 K in the new multiphase models are about one order of magnitude higher than those in the two-phase model. Our model shows a reasonable agreement with observations toward low-mass protostars. Moreover, molecular oxygen abundances predicted by our new multiphase models agree reasonably well with that found in cometary materials.

astro-ph.SR↗

arXiv2018

Catching the Birth of a Dark Molecular Cloud for the First Time

The majority of hydrogen in the interstellar medium (ISM) is in atomic form. The transition from atoms to molecules and, in particular, the formation of the H$_2$ molecule, is a key step in cosmic structure formation en route to stars. Quantifying H$_2$ formation in space is difficult, due to the confusion in the emission of atomic hydrogen (HI) and the lack of a H$_2$ signal from the cold ISM. Here we present the discovery of a rare, isolated dark cloud currently undergoing H$_2$ formation, as evidenced by a prominent "ring" of HI self-absorption. Through a combined analysis of HI narrow self-absorption, CO emission, dust emission, and extinction, we directly measured, for the first time, the [HI]/[H$_2$] abundance varying from 2% to 0.2%, within one region. These measured HI abundances are orders of magnitude higher than usually assumed initial conditions for protoplanetary disk models. None of the fast cloud formation model could produce such low atomic hydrogen abundance. We derived a cloud formation timescale of 6$\times$10$^6$ years, consistent with the global Galactic star formation rate, and favoring the classical star formation picture over fast star formation models. Our measurements also help constrain the H$_2$ formation rate, under various ISM conditions.

astro-ph.GA↗

arXiv2018

Effect of stochastic grain heating on cold dense clouds chemistry

The temperatures of dust grains play important roles in the chemical evolution of molecular clouds. Unlike large grains, the temperature fluctuations of small grains induced by photons may be significant. Therefore, if the grain size distribution is included in astrochemical models, the temperatures of small dust grains may not be assumed to be constant. We simulate a full gas-grain reaction network with a set of dust grain radii using the classical MRN grain size distribution and include the temperature fluctuations of small dust grains. Monte Carlo method is used to simulate the real-time dust grain's temperature fluctuations which is caused by the external low energy photons and the internal cosmic ray induced secondary photons. The increase of dust grains radii as ice mantles accumulate on grain surfaces is also included in our models. We found that surface CO$_2$ abundances in models with grain size distribution and temperature fluctuations are more than one order of magnitude larger than those with single grain size. Small amounts of terrestrial complex organic molecules (COMs) can also be formed on small grains due to the temperature spikes induced by external low energy photons. However, cosmic ray induced secondary photons overheat small grains so that surface CO sublime and less radicals are formed on grains surfaces, thus the production of surface CO$_2$ and COMs decreases by about one order of magnitude. The overheating of small grains can be offset by grain growth so that the formation of surface CO$_2$ and COMs becomes more efficient.

astro-ph.EP↗

arXiv2017

Large-Scale Spectroscopic Mapping of the $ρ$ Ophiuchi Molecular Cloud Complex I. The C$_{2}$H to N$_2$H$^+$ Ratio as a Signpost of Cloud Characteristics

We present 2.5-square-degree C$_{2}$H N=1-0 and N$_2$H$^+$ J=1-0 maps of the $ρ$ Ophiuchi molecular cloud complex. These are the first large-scale maps of the $ρ$ Ophiuchi molecular cloud complex with these two tracers. The C$_{2}$H emission is spatially more extended than the N$_2$H$^+$ emission. One faint N$_2$H$^+$ clump Oph-M and one C$_{2}$H ring Oph-RingSW are identified for the first time. The observed C$_{2}$H to N$_{2}$H$^{+}$ abundance ratio ([C$_{2}$H]/[N$_{2}$H$^{+}$]) varies between 5 and 110. We modeled the C$_{2}$H and N$_2$H$^+$ abundances with 1-D chemical models which show a clear decline of [C$_2$H]/[N$_2$H$^+$] with chemical age. Such an evolutionary trend is little affected by temperatures when they are below 40 K. At high density (n$_H$ $>$ 10$^5$ cm$^{-3}$), however, the time it takes for the abundance ratio to drop at least one order of magnitude becomes less than the dynamical time (e.g., turbulence crossing time $\rm \sim$10$^5$ years). The observed [C$_2$H]/[N$_2$H$^+$] difference between L1688 and L1689 can be explained by L1688 having chemically younger gas in relatively less dense regions. The observed [C$_{2}$H]/[N$_{2}$H$^{+}$] values are the results of time evolution, accelerated at higher densities. For the relative low density regions in L1688 where only C$_2$H emission was detected, the gas should be chemically younger.

astro-ph.GA↗

arXiv2016

Unified Microscopic-Macroscopic Monte Carlo Simulations of Complex Organic Molecule Chemistry in Cold Cores

The recent discovery of methyl formate and dimethyl ether in the gas phase of cold cores with temperatures as cold as 10 K challenges our previous astrochemical models concerning the formation of complex organic molecules. The strong correlation between the abundances and distributions of methyl formate and dimethyl ether further shows that current astrochemical models may be missing important chemical processes in cold astronomical sources. We investigate a scenario in which complex organic molecules and the methoxy radical can be formed on dust grains via a so-called "chain reaction" mechanism, in a similar manner to CO$_2$. A unified gas-grain microscopic-macroscopic Monte Carlo approach with both normal and interstitial sites for icy grain mantles is used to perform the chemical simulations. Reactive desorption with varying degrees of efficiency is included to enhance the non-thermal desorption of species formed on cold dust grains. In addition, varying degrees of efficiency for the surface formation of methoxy are also included. The observed abundances of a variety of organic molecules in cold cores can be reproduced in our models. The strong correlation between the abundances of methyl formate and dimethyl ether in cold cores can also be explained. Non-diffusive chemical reactions on dust grain surfaces may play a key role in the formation of some complex organic molecules.

astro-ph.SR↗

arXiv2014

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.

astro-ph.SR↗

arXiv2014

Interstellar Simulations Using A Unified Microscopic-Macroscopic Monte Carlo Model with a full Gas-Grain Network including Bulk Diffusion in Ice Mantles

We have designed an improved algorithm that enables us to simulate the chemistry of cold dense interstellar clouds with a full gas-grain reaction network. The chemistry is treated by a unified microscopic-macroscopic Monte Carlo approach that includes photon penetration and bulk diffusion. To determine the significance of these two processes, we simulate the chemistry with three different models. In Model 1, we use an exponential treatment to follow how photons penetrate and photodissociate ice species throughout the grain mantle. Moreover, the products of photodissociation are allowed to diffuse via bulk diffusion and react within the ice mantle. Model 2 is similar to Model 1 but with a slower bulk diffusion rate. A reference Model 0, which only allows photodissociation reactions to occur on the top two layers, is also simulated. Photodesorption is assumed to occur from the top two layers in all three models. We found that the abundances of major stable species in grain mantles do not differ much among these three models, and the results of our simulation for the abundances of these species agree well with observations. Likewise, the abundances of gas-phase species in the three models do not vary. However, the abundances of radicals in grain mantles can differ by up to two orders of magnitude depending upon the degree of photon penetration and the bulk diffusion of photodissociation products. We also found that complex molecules can be formed at temperatures as low as 10 K in all three models.

astro-ph.EP↗