How to compare gas-phase, in-cloud aqueous, and heterogeneous sulfate production rates?

Hi all,

I’m running CMAQ v5.5 with cb6r3_ae7_aq_m3dry. I have also added some heterogeneous reactions such as SO2 = ASO4J. My goal is to compare sulfate production rates from gas-phase, in-cloud aqueous, and heterogeneous pathways on the same basis (e.g., ug m-3 h-1).

The STM, IPR, and IRR outputs enabled. These three modules overlap in some aspects but differ in others. STM species are accumulated concentrations after transport and deposition, including sulfate from gas-phase and in-cloud aqueous reactions (and potentially heterogeneous sulfate if tracked), but they cannot simply be divided by time to obtain a rate. IRR provides chemical reaction rates, including heterogeneous sulfate formation and gas-phase H2SO4 production, but excludes H2SO4 gas-to-particle partitioning and in-cloud sulfate production. IPR includes CHEM, CLDS, and AERO, which also overlap with STM and IRR. I am not quite clear about the corresponding relationships among them. Besides, what is the relationship between TRNM in IPR and ICBC in STM?

However, I am not clear on how to handle these output data. Are there recommended diagnostic methods, post-processing tools, or a combination of STM/IPR/IRR that can yield comparable sulfate formation rates for different pathways?

Any advice or examples would be greatly appreciated. Thanks.

In addition, I noticed a striking anomaly: the sulfate concentrations output by CMAQ for the near-surface layer and the second layer differ by two orders of magnitude, whereas the STM results show almost no difference across layers. What could be causing this discrepancy?