diff --git a/paper.md b/paper.md index a382e30c..1fed4ac8 100644 --- a/paper.md +++ b/paper.md @@ -44,9 +44,9 @@ PyCHAM (CHemistry with Aerosol Microphysics in Python) is an open-access 0-D box With air quality and climate models increasingly important to guiding sustainable societies, the accuracy of simulations must suffice [@Tong:2019]. However, research shows that the simulated aerosol effects in these models provides a relatively high amount of uncertainty [@Johnson:2018]. The combination of box models like PyCHAM with aerosol chamber measurements to better constrain aerosol processes is therefore necessary to ultimately improve societal sustainability. -Funding for model development has been provided by the EUROCHAMP-2020 research project [@EUROCHAMP:2020]. At the time of writing, PyCHAM is being used to investigate the autoxidation of organic vapours in the atmosphere. The autoxidation process has recently been discovered to play a significant role in the formation of airbourne particulates [@Ehn:2014], however its exact chemical mechanism is yet to be elucidated. Through comparison of chamber measurements with PyCHAM outputs using various mechanism possibilities, a constrained autoxidation chemical scheme is being generated. +At the time of writing, PyCHAM is being used to investigate the autoxidation of organic vapours in the atmosphere. The autoxidation process has recently been discovered to play a significant role in the formation of airbourne particulates [@Ehn:2014], however its exact chemical mechanism is yet to be elucidated. Through comparison of chamber measurements with PyCHAM outputs using various mechanism possibilities, a constrained autoxidation chemical scheme is being generated. -The model employs non-equilibrium equations to simulate the known processes occurring in aerosol chambers. At its core is integration of ordinary differential equations (ODEs) for gas-phase photochemistry and gas partitioning to particles and walls. Here, the CVode function of the Assimulo package [@Andersson:2015] for ODE solvers is called on, using the backward differentiation formula, which studies have shown is most reliable for solution of these equations [@Jacobson:2005]. The general equation for chemical reactions is [@Jacobson:2005]: +The model employs non-equilibrium equations to simulate the known processes occurring in aerosol chambers. At its core is integration of ordinary differential equations (ODEs) for gas-phase photochemistry and gas partitioning to particles and walls. Here, the CVode function of the Assimulo package [@Andersson:2015] for ODE solvers is called on, using the backward differentiation formula of the Sundials solvers [@hindmarsh:2005sundials], which studies have shown is most reliable for solution of these equations [@Jacobson:2005]. The general equation for chemical reactions is [@Jacobson:2005]: $$\frac{d[i_{g}]}{dt} = \pm i_{s}k_{n}[a_{g}]^{a_{s}}[b_{g}]^{b_{s}}, $$ @@ -73,6 +73,7 @@ Several variables change between different aerosol chambers and different experi # Acknowledgements +Funding has been provided by the EUROCHAMP-2020 research project [@EUROCHAMP:2020]. This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 730997 and the National Centre for Atmospheric Science. # References