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specify units for V, A, and total sites in SurfaceReactor comments
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Lines changed: 3 additions & 3 deletions

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rmgpy/solver/surface.pyx

Lines changed: 3 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -475,9 +475,9 @@ cdef class SurfaceReactor(ReactionSystem):
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surface_volume_ratio_si = self.surface_volume_ratio.value_si
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C = np.zeros_like(self.core_species_concentrations)
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V = self.V # constant volume reactor
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A = self.V * surface_volume_ratio_si # area
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total_sites = self.surface_site_density.value_si * A # todo: double check units
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V = self.V # constant volume reactor in m^3
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A = self.V * surface_volume_ratio_si # area in m^2
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total_sites = self.surface_site_density.value_si * A # moles of sites
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for j in range(num_core_species):
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if species_on_surface[j]:
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C[j] = (N[j] / V) / surface_volume_ratio_si

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