A Comparative Study of Atmospheric Chemistry with VULCAN

TL;DR

This paper updates the VULCAN photochemical model with new features, validates it across various planetary atmospheres, and applies it to multiple exoplanets to analyze atmospheric chemistry and observable spectra.

Contribution

The paper introduces new capabilities to VULCAN, including C-H-N-O-S networks and photochemistry, and provides comprehensive validation and application to diverse planetary atmospheres.

Findings

VULCAN accurately models hot Jupiter atmospheres and matches previous studies.

The model successfully predicts water and ammonia ice cloud locations.

Sulfur impacts atmospheric chemistry and spectral features.

Abstract

We present an update of the open-source photochemical kinetics code VULCAN (Tsai et al. 2017; https://github.com/exoclime/VULCAN) to include C-H-N-O-S networks and photochemistry. Additional new features are advection transport, condensation, various boundary conditions, and temperature-dependent UV cross-sections. First, we validate our photochemical model for hot Jupiter atmospheres by performing an intercomparison of HD 189733b models between Moses et al. (2011), Venot et al. (2012), and VULCAN, to diagnose possible sources of discrepancy. Second, we set up a model of Jupiter extending from the deep troposphere to upper stratosphere to verify the kinetics for low temperature. Our model reproduces hydrocarbons consistent with observations, and the condensation scheme successfully predicts the locations of water and ammonia ice clouds. We show that vertical advection can regulate the local ammonia distribution in the deep atmosphere. Third, we validate the model for oxidizing atmospheres by simulating Earth and find agreement with observations. Last, VULCAN is applied to four representative cases of extrasolar giant planets: WASP-33b, HD 189733b, GJ 436b, and 51 Eridani b. We look into the effects of the C/O ratio and chemistry of titanium/vanadium species for WASP-33b; we revisit HD 189733b for the effects of sulfur and carbon condensation; the effects of internal heating and vertical mixing ($K_{\textrm{zz}}$) are explored for GJ 436b; we test updated planetary properties for 51 Eridani b with S$_8$ condensates. We find sulfur can couple to carbon or nitrogen and impact other species such as hydrogen, methane, and ammonia. The observable features of the synthetic spectra and trends in the photochemical haze precursors are discussed for each case.