Dr. SHANG-MIN TSAI

Abstract:

Context. Growing evidence has indicated that the global composition distribution plays an indisputable role in interpreting observational data. Three-dimensional general circulation models (GCMs) with a reliable treatment of chemistry and clouds are particularly crucial in preparing for upcoming observations. In attempts to achieve 3D chemistry-climate modeling, the challenge mainly lies in the expensive computing power required for treating a large number of chemical species and reactions.
Aims. Motivated by the need for a robust and computationally efficient chemical scheme, we devise a mini-chemical network with a minimal number of species and reactions for H2-dominated atmospheres.
Methods. We apply a novel technique to simplify the chemical network from a full kinetics model, VULCAN, by replacing a large number of intermediate reactions with net reactions. The number of chemical species is cut down from 67 to 12, with the major species of thermal and observational importance retained, including H2O, CH4, CO, CO2, C2H2, NH3, and HCN. The size of the total reactions is also greatly reduced, from ~800 to 20. We validated the mini-chemical scheme by verifying the temporal evolution and benchmarking the predicted compositions in four exoplanet atmospheres (GJ 1214b, GJ 436b, HD 189733b, and HD 209458b) against the full kinetics of VULCAN.
Results. The mini-network reproduces the chemical timescales and composition distributions of the full kinetics well within an order of magnitude for the major species in the pressure range of 1 bar–0.1 mbar across various metallicities and carbon-to-oxygen (C/O) ratios.
Conclusions. We have developed and validated a mini-chemical scheme using net reactions to significantly simplify a large chemical network. The small scale of the mini-chemical scheme permits simple use and fast computation, which is optimal for implementation in a 3D GCM or a retrieval framework. We focus on the thermochemical kinetics of net reactions in this paper and address photochemistry in a follow-up paper.

Abstract:

Planets smaller than Neptune and larger than Earth make up the majority of the discovered exoplanets. Those with H2-rich atmospheres are prime targets for atmospheric characterization. The transition between the two main classes, super-Earths and sub-Neptunes, is not clearly understood as the rocky surface is likely not accessible to observations. Tracking several trace gases (specifically the loss of ammonia (NH3) and hydrogen cyanide (HCN)) has been proposed as a proxy for the presence of a shallow surface. In this work, we revisit the proposed mechanism of nitrogen conversion in detail and find its timescale on the order of a million years. NH3 exhibits dual paths converting to N2 or HCN, depending on the UV radiation of the star and the stage of the system. In addition, methanol (CH3OH) is identified as a robust and complementary proxy for a shallow surface. We follow the fiducial example of K2-18b with a 2D photochemical model on an equatorial plane. We find a fairly uniform composition distribution below 0.1 mbar controlled by the dayside, as a result of slow chemical evolution. NH3 and CH3OH are concluded to be the most unambiguous proxies to infer surfaces on sub-Neptunes in the era of the James Webb Space Telescope.