Gas fuel formulas

Carbonmono

Cracking (Thermal & Catalytic)

1. C₁₆H₃₄ → C₈H₁₈ + C₈H₁₆ (500°C, 20 atm) – Gas oil to gasoline + light olefins.

2. C₁₀H₂₂ → C₆H₁₄ + C₄H₈ (450°C, zeolite) – Diesel to gasoline + butene.

3. C₂₀H₄₂ → C₁₀H₂₂ + C₅H₁₀ + C₅H₁₀ (fluid catalytic cracking) – Heavy gas oil to light cycle oil + olefins.

4. C₇H₁₆ → C₃H₈ + C₄H₆ (550°C) – Heptane to propane + butadiene.

5. C₁₈H₃₈ → C₉H₂₀ + C₉H₁₈ (500°C) – Paraffin to gasoline + nonene.

Hydrocracking

1. C₁₆H₃₄ + H₂ → 2 C₈H₁₈ (400°C, Ni-W catalyst) – Gas oil + hydrogen to isoparaffins (high octane).

2. Naphthalene + H₂ → Tetralin → Decalin (300°C, Pt) – Aromatic saturation to jet fuel.

Catalytic Reforming

1. n-C₆H₁₄ → Cyclohexane → Benzene + 3H₂ (500°C, Pt-Re) – Paraffin to aromatics (RON boost).

2. Methylcyclopentane → Benzene + 2H₂ (480°C) – Naphthene to aromatic.

3. C₇H₁₆ → Toluene + 4H₂ (490°C) – Heptane to toluene.

Isomerization

1. n-C₄H₁₀ → iso-C₄H₁₀ (150°C, AlCl₃) – Butane to isobutane (alkylation feed).

2. n-C₅H₁₂ → iso-C₅H₁₂ (120°C, Pt/Cl-Al₂O₃) – Pentane to isopentane (higher RON).

Alkylation

1. iso-C₄H₁₀ + C₄H₈ → C₈H₁₈ (H₂SO₄, 10°C) – Isobutane + butene to isooctane.

2. iso-C₄H₁₀ + C₃H₆ → C₇H₁₆ (HF, 30°C) – Isobutane + propylene to heptanes.

Polymerization

1. 3 C₃H₆ → C₉H₁₈ (phosphoric acid, 200°C) – Propylene to nonene (detergent feedstock).

2. 2 C₄H₈ → C₈H₁₆ (solid H₃PO₄) – Butene to octene (plasticizer alcohol).

Hydrogenation

1. C₂H₂ + 2H₂ → C₂H₆ (Ni, 200°C) – Acetylene removal from ethylene stream.

2. Benzene + 3H₂ → Cyclohexane (Ni, 200°C) – For nylon production.

Dehydrogenation

1. C₃H₈ → C₃H₆ + H₂ (Cr₂O₃/Al₂O₃, 600°C) – Propane to propylene.

2. C₄H₁₀ → C₄H₈ + H₂ (600°C) – Butane to butenes (MTBE feed).

Desulfurization (HDS)

1. C₄H₄S (thiophene) + 4H₂ → C₄H₁₀ + H₂S (Co-Mo, 350°C) – Sulfur removal from FCC naphtha.

2. C₆H₅SH (thiophenol) + H₂ → C₆H₆ + H₂S (Ni-Mo, 320°C) – Sweetening.

3. RSH (mercaptan) + H₂ → RH + H₂S (400°C) – General mercaptan removal.

Denitrogenation (HDN)

1. Pyridine (C₅H₅N) + 5H₂ → C₅H₁₂ + NH₃ (Ni-Mo, 400°C) – Nitrogen removal from shale oil.

Combustion (Complete/Incomplete)

1. CH₄ + 2O₂ → CO₂ + 2H₂O (ignition) – Methane combustion (natural gas energy).

2. 2C₈H₁₈ + 25O₂ → 16CO₂ + 18H₂O – Isooctane in engine.

3. C + O₂ → CO₂ (complete) – Coke burn-off in FCC regenerator.

4. 2C + O₂ → 2CO (partial) – Carbon monoxide formation (improper mix).

Steam Reforming

1. CH₄ + H₂O → CO + 3H₂ (Ni, 800°C) – Hydrogen production for hydrotreating.

2. C₃H₈ + 3H₂O → 3CO + 7H₂ (750°C) – Propane to syngas.

Water-Gas Shift

1. CO + H₂O → CO₂ + H₂ (Fe-Cr, 400°C) – Adjust H₂/CO ratio in syngas.

Methanation

1. CO + 3H₂ → CH₄ + H₂O (Ni, 300°C) – CO removal from ammonia feed.

Hydrodesulfurization – More specific

1. C₃H₈S + 2H₂ → C₃H₈ + H₂S (Co-Mo, 370°C) – Propyl mercaptan removal.

2. C₆H₁₀S (thiacyclohexane) + 2H₂ → C₆H₁₂ + H₂S – Cyclic sulfide removal.

Hydrodenitrogenation

1. Quinoline (C₉H₇N) + 7H₂ → C₉H₁₈ + NH₃ (Ni-Mo, 380°C) – Nitrogen removal.

Catalytic Dewaxing

1. n-C₃₀H₆₂ → C₁₅H₃₁-CH₃ + C₁₅H₃₁ (zeolite, 300°C) – Long paraffin cracking to improve pour point.

Olefin Oligomerization

1. 2 C₄H₈ → C₈H₁₆ (solid phosphoric acid) – Dimerization for gasoline range.

2. 3 C₃H₆ → C₉H₁₈ (Ziegler-Natta) – Propylene trimer to C9.

Aromatics Alkylation

1. Benzene + C₂H₄ → Ethylbenzene (AlCl₃, 90°C) – Styrene precursor.

2. Benzene + C₃H₆ → Cumene (H₃PO₄, 250°C) – For phenol/acetone.

3. Toluene + C₂H₄ → Methyl ethylbenzene (HF) – Xylenes alternative.

Transalkylation

1. Toluene + C₉H₁₂ → 2 C₈H₁₀ (zeolite, 400°C) – Toluene + trimethylbenzene to xylenes.

Disproportionation

1. 2 Toluene → Benzene + Xylene (zeolite, 500°C) – Xylene production.

Coking Reactions (Thermal)

1. C₁₈H₃₈ → 9C + 9CH₄ + C₂H₄ (500°C) – Coke formation in furnace tubes.

2. C₂H₄ → 2C + 2H₂ (800°C) – Ethylene decomposition to carbon black.

In-Situ Combustion (EOR)

1. C₄H₁₀ + 6.5O₂ → 4CO₂ + 5H₂O (reservoir, 500°C) – Fireflooding for heavy oil.

Aquathermolysis

1. C₁₀H₂₂ + H₂O → CO + CH₄ + C₂H₄ (steam, >250°C) – Steam injection with heavy oil.

Visbreaking Thermal Cracking

1. C₃₆H₇₄ → C₁₈H₃₈ + C₁₈H₃₆ (480°C) – Residue reduction for fuel oil.

Delayed Coking

1. C₃₀H₆₂ → C₁₀H₂₂ + C₂₀H₄₀ + C (495°C) – Drum coking to petroleum coke + gas oil.

Flexicoking

1. Coke + H₂O → CO + H₂ (950°C) – Coke gasification.

Hydrotreating (General)

1. C₈H₈S + 4H₂ → C₈H₁₆ + H₂S (350°C) – Benzothiophene removal.

2. C₆H₅N + 4H₂ → C₆H₁₂ + NH₃ (Ni-Mo) – Aniline hydrogenation.

Hydrocracking Aromatics

1. Naphthalene + 2H₂ → Tetralin → Decalin + 3H₂? Actually 2 steps:

       C₁₀H₈ + 2H₂ → C₁₀H₁₂ (tetralin) then C₁₀H₁₂ + 2H₂ → C₁₀H₁₈ (decalin) (400°C, Pt)

Sweetening (Merox)

1. 2 RSH + O₂ → RSSR + H₂O (caustic + catalyst) – Mercaptan oxidation to disulfide.

Claus Process (Tail Gas)

1. H₂S + ½O₂ → S + H₂O (250°C, Al₂O₃) – Sulfur recovery from acid gas.

2. 2H₂S + SO₂ → 3S + 2H₂O (catalytic) – Claus reaction.

Amine Regeneration Reverse Reaction

1. R₃NH⁺ + HS⁻ → R₃N + H₂S (steam, 120°C) – Amine reboiler stripping H₂S.

Hydrodemetallization

1. Ni-porphyrin + H₂ → NiS + C₂₀H₃₂ + NH₃ (370°C) – Nickel removal from residue.

Electrodesulfurization (Not common, but exists)

1. C₆H₅SH + e⁻ → C₆H₆ + SH⁻ (electrochem) – Desulfurization in ionic liquids.

Fischer-Tropsch (Gas-to-Liquids)

1. 3CO + 7H₂ → C₃H₈ + 3H₂O (Fe catalyst, 230°C) – Syngas to LPG.

2. CO + 2H₂ → –(CH₂)– + H₂O (Co, 220°C) – Polymerization to wax.

Methanol-to-Gasoline (MTG)

1. 2CH₃OH → CH₃OCH₃ + H₂O (ZSM-5, 300°C) – DME intermediate to hydrocarbons.

Methanol-to-Olefins (MTO)

1. CH₃OH → C₂H₄ + C₃H₆ + H₂O (SAPO-34, 450°C) – Light olefins from natural gas.

Ethylene Oxide (Petrochemical)

1. C₂H₄ + ½O₂ → C₂H₄O (Ag, 250°C) – Ethylene to ethylene oxide (antifreeze).

Propylene Oxidation

1. C₃H₆ + O₂ → Acrolein → Acrylic acid (Bi-Mo, 350°C) – For superabsorbents.

Maleic Anhydride from Butane

1. C₄H₁₀ + 3.5O₂ → C₄H₂O₃ + 4H₂O (VPO, 400°C) – From n-butane.

Cumene to Phenol/Acetone

1. Cumene + O₂ → Cumene hydroperoxide → Phenol + Acetone (H₂SO₄) – Hock process.

Ethylbenzene to Styrene

1. Ethylbenzene → Styrene + H₂ (Fe oxide, 600°C) – Dehydrogenation.

Terephthalic Acid from p-Xylene

1. p-Xylene + 3O₂ → Terephthalic acid + 2H₂O (Co-Mn, 200°C) – PET plastic.

Vinyl Chloride Monomer (VCM)

1. C₂H₂ + HCl → CH₂=CHCl (HgCl₂, 150°C) – Acetylene route.

2. C₂H₄ + Cl₂ → C₂H₄Cl₂ → C₂H₃Cl + HCl (oxychlorination, 300°C) – Modern route.

ABS Resin Intermediates

1. C₄H₆ (butadiene) + C₈H₈ (styrene) + C₃H₃N (acrylonitrile) → ABS terpolymer (free radical).

Sour Gas Reactions (Reservoir)

1. H₂S + Fe₂O₃ → FeS + S + H₂O (downhole) – Iron sulfide scale formation.

2. CO₂ + H₂O → H₂CO₃ → H⁺ + HCO₃⁻ (reservoir brine) – Carbonate dissolution.

Asphaltene Precipitation (Not reaction but equilibrium)

1. Asphaltene + n-C₇ → Solid precipitate (flocculation in crude oil).

Hydrate Formation (Cold Flow)

1. CH₄ + 5.75H₂O → CH₄·5.75H₂O (4°C, >50 bar) – Gas hydrate plug in pipelines.

Biogenic Sulfide (Reservoir Souring)

1. SO₄²⁻ + 2CH₂O → H₂S + 2HCO₃⁻ (sulfate-reducing bacteria) – Biogenic H₂S.

Air Blowing of Bitumen

1. C₃₈H₆₈ + O₂ → C₃₈H₆₄O (asphaltene) + H₂O (240°C) – Oxidative hardening for roofing flux.

Hydroxylation (Lube base oil)

1. C₁₈H₃₈ + O₂ → C₁₈H₃₇OH (radical, >100°C) – Hydroperoxide decomposition in aged oil.

Sulfonate Formation

1. C₁₂H₂₆ + SO₃ → R-SO₃H (sulfonation, 50°C) – Detergent alkylate.

Alkylation of Phenol (Lube additive)

1. C₈H₁₇OH + C₁₂H₂₄ → C₂₀H₄₁OH (acid clay) – Long-chain phenolic antioxidant.

Soda Ash Process (Oil well)

1. Na₂CO₃ + CaSO₄ → CaCO₃ + Na₂SO₄ (scale control, brine mixing).

Silicate-Polymer Gel (Conformance control)

1. Sodium silicate + HCl → Silicic acid → Silica gel (reservoir plugging).

Surfactant Flooding (EOR)

1. Petroleum sulfonate + divalent ion → Precipitate (softening needed for surfactant EOR).

Oxy-desulfurization

1. C₄H₄S + H₂O₂ → C₄H₄SO₂ + H₂O (Ti catalyst) – Oxidative sulfur removal.

MTBE Synthesis/Reverse

1. iso-C₄H₈ + CH₃OH → MTBE (acid resin, 80°C) – Octane booster.

2. MTBE → Isobutene + Methanol (150°C, acid) – Reverse for pure isobutene.

TAME from isoamylene

1. 2-methyl-2-butene + CH₃OH → TAME (70°C, resin) – Tert-amyl methyl ether (oxygenate).

Etherification (General)

1. C₂H₄ + CH₃OH → Ethyl tert-butyl ether? No – actually C₄H₈ + C₂H₅OH → ETBE (ETBE, 60°C).

Ethanol Dehydration to Ethylene

1. C₂H₅OH → C₂H₄ + H₂O (γ-Al₂O₃, 350°C) – Bio-ethylene.

Butadiene from Ethanol

1. 2C₂H₅OH → C₄H₆ + 2H₂O + H₂ (MgO/SiO₂, 400°C) – Lebedev process.

Carbon Dioxide Methanation (Power-to-Gas)

1. CO₂ + 4H₂ → CH₄ + 2H₂O (Ni, 350°C) – Synthetic natural gas from H₂ + captured CO₂.

Dry Reforming (CO₂ + CH₄)

1. CH₄ + CO₂ → 2CO + 2H₂ (Ni, 800°C) – Syngas for oxygenates.

Partial Oxidation of Heavy Oil

1. C₁₀H₂₂ + 5O₂ → 10CO + 11H₂ (1200°C) – Syngas from residual oil.

Autothermal Reforming

1. CH₄ + H₂O + ½O₂ → CO + 2H₂ + H₂O (Ni, 1000°C) – Combines steam + partial oxidation.

Hydrolysis of CS₂ (in refineries)

1. CS₂ + 2H₂O → CO₂ + 2H₂S (TiO₂, 300°C) – CS₂ in Claus feed.

COS Hydrolysis

1. COS + H₂O → CO₂ + H₂S (Al₂O₃, 200°C) – Carbonyl sulfide removal.

Alkaline Washing (Naphthenic acid removal)

1. RCOOH + NaOH → RCOONa + H₂O – Neutralization in crude oil desalting.

Sulfuric Acid Alkylation – Side reaction

1. Isobutane + H₂SO₄ → Conjugate acid + olefin polymer (undesired red oil).

Hydroquinone from Benzene

1. Benzene + H₂O₂ → Phenol → Hydroquinone (Fenton-like) – Petrochemical intermediate.

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Let me know if you want these reactions grouped by process type (e.g., FCC, reforming, hydrotreating) or with thermodynamic data (ΔH, ΔG).

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Improve petrol combustion

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