| name | neqsim-co2-emissions-screening |
| version | 0.1.0 |
| description | Educational combustion-CO2 emission screening that estimates the CO2 mass rate from a fuel-gas flow and composition using public per-component carbon-count stoichiometry and the IPCC basis. USE WHEN: a task needs a public, screening-level CO2 emission rate (kg/s or tonnes/day) from burning a fuel-gas stream before detailed combustion or emission-factor reporting. |
| last_verified | 2026-06-18 |
| requires | {"python_packages":[],"java_packages":[],"env":[],"network":[]} |
CO2 Emissions Screening
Use this skill for public, educational combustion-CO2 emission screening. It estimates the CO2 mass rate from full combustion of a fuel-gas stream using public per-component carbon counts, so an agent can scope an emission rate before detailed combustion modelling or certified emission-factor reporting.
When to Use
- When a user asks roughly how much CO2 a fuel-gas stream produces when burned.
- When an agent needs a quick emission rate for turbine, heater, or flare fuel.
- When examples must run without confidential metering or certified emission factors.
Inputs
composition: dict of component name to mole fraction (normalized internally).molar_flow: fuel-gas molar flow in mol/s (provide this or mass_flow).mass_flow: fuel-gas mass flow in kg/s (provide this or molar_flow).co2_limit_t_per_day: optional CO2 limit in tonnes/day for the flag.
Supported components: methane, ethane, propane, n/i-butane, n/i-pentane, hexane, CO2, CO, nitrogen, hydrogen, water, oxygen, H2S, helium.
Outputs
mixture_molecular_weight_g_mol: composition-weighted molecular weight.carbon_per_mole_fuel: carbon atoms per mole of fuel mixture.co2_mass_rate_kg_s: CO2 mass rate.co2_mass_rate_t_per_day: CO2 rate in tonnes/day.specific_co2_kg_per_kg_fuel: CO2 mass per unit fuel mass.emission_warning: ok, over-limit, or no-limit.assumptions: public assumptions used by the placeholder model.
Engineering Method
The Python class CombustionCO2Model uses public combustion stoichiometry:
- the carbon per mole of fuel uses
C = sum(y_i * carbon_number_i).
- the CO2 mass rate uses
m_CO2 = n_fuel * C * M_CO2 with M_CO2 = 44.01 g/mol.
- complete combustion is assumed, so every fuel carbon atom becomes one CO2; feed CO2 is carried through and counted.
- mass-flow input is converted to molar flow with the composition-weighted molecular weight.
This is educational and screening-only logic. It assumes complete combustion with no combustion efficiency, unburned-carbon slip, flaring loss, or capture credit. It is not a replacement for validated combustion modelling, ISO 6976 calculations, certified emission factors, and qualified reporting.
Python Usage Pattern
from co2_emissions_screening import CombustionCO2Model
model = CombustionCO2Model()
result = model.evaluate(
composition={"methane": 0.9, "ethane": 0.07, "co2": 0.03},
mass_flow=2.0,
co2_limit_t_per_day=400.0,
)
print(result.co2_mass_rate_t_per_day)
print(result.specific_co2_kg_per_kg_fuel)
print(result.emission_warning)
Related NeqSim Functionality
For validated combustion and gas-quality behaviour, redirect to existing NeqSim classes:
neqsim.standards.gasquality.Standard_ISO6976 — calorific value, density, and Wobbe index per ISO 6976.neqsim.process.equipment.reactor.GibbsReactor — equilibrium combustion product modelling.neqsim.process.equipment.powergeneration.GasTurbine — fuel-gas consumption and turbine duty.
This skill is a public emission-rate triage layer that decides when to invoke those validated combustion and gas-quality classes.
Validation Checklist
Common Mistakes
| Symptom | Cause | Fix |
|---|
| Emission too low | Feed CO2 ignored | The model carries feed CO2 through |
| Component rejected | Heavy or uncommon species | Limit to the supported fuel-gas list |
| Wrong basis | Both flows passed | Provide exactly one flow basis |
Limitations
- Complete combustion only; no efficiency, slip, or capture.
- Limited fuel-gas component set; no heavy hydrocarbons or oxygenates.
- Not a certified greenhouse-gas inventory method.
References
