NSNate Shakouri, Ph.D.Chemecat · Science & technology strategy

Cat Lab · An evolving scientific computing workspace

Use the calculator directly, or carry your design basis through candidates, comparison, and a portable report in the Project Builder.

CHEMECAT / ENGINEERING TOOLS

Cat Lab

Catalyst Bed / Reactor Calculator

Connect geometry, gas flow, and catalyst inventory. Examine every result.

Illustrative example loaded. Values are demonstration inputs, not validated gas or catalyst property data. No data is saved after refresh.

Packed-bed volume
7.85mL

Includes particles + interparticle voids

Superficial velocity
0.0412m/s

At operating conditions

GHSV at reference conditions
764h⁻¹

Reference gas / packed-bed volume

Ergun pressure drop
88.7Pa

Ergun · constant-property estimate

Inputs

INPUT

Leave unknown values blank. Unit changes preserve the entered physical quantity.

01Bed geometry & inventory

Optional if bulk density and bed volume are known.

Mass per packed-bed volume, including interparticle voids.

Geometry defines bed volume when diameter and length are supplied. Otherwise mass ÷ bulk density can define it.

02Bed voidage

Strictly between 0 and 1 (or 0–100%).

03Gas flow & operating state

Absolute pressure; convert gauge readings before entry.

Ideal gas (Z = 1). Absolute pressure and kelvin are used internally.

04Reference gas state

Defines the supplied flow and is needed for conversion.

Absolute pressure. The reference state is explicit, not universal.

05Gas mass properties

Mixture-average value. Needed for density, mass flow, WHSV, and full Ergun.

06Ergun pressure drop

Uniform spheres assumed; arbitrary pellet width is not a validated equivalent diameter.

Supply a defensible value at operating temperature and pressure.

Also uses diameter, length, voidage, flow, operating state, and molecular weight.

Cylindrical packed bed · SI scientific core
02

Calculated results

3 significant figures
Reference gas basis: 273.15 K · 101.325 kPa absolute
GHSV uses packed-bed volume. WHSV uses total inlet gas mass.

Geometry & inventory

Quantity / calculationValueUnit
Cross-sectional area
Show Calculation
CALCULATED RESULT

A = πD² / 4

Substitution in SI

((3.141592653589793 × (0.01 m)^2) / 4)

= 7.85e-5

Display conversion: divide the SI value by 0.0001000000.785 cm².

Assumptions

  • The packed region is a uniform cylinder.

Dimensions checked against the declared SI output unit.

0.785cm²
Packed-bed volume
Show Calculation
CALCULATED RESULT

V_b = AL

Substitution in SI

(0.0000785398 m² × 0.1 m)

= 7.85e-6

Display conversion: divide the SI value by 0.000001000007.85 mL.

Assumptions

  • The packed region is a uniform cylinder.

Dimensions checked against the declared SI output unit.

7.85mL
Catalyst massDERIVED
Show Calculation
DERIVED VALUE

m_c = ρ_b V_b

Substitution in SI

(600 kg/m³ × 0.00000785398 m³)

= 0.00471 kg

Display conversion: divide the SI value by 0.001000004.71 g.

Assumptions

  • The packed region is a uniform cylinder.

Dimensions checked against the declared SI output unit.

4.71g
Catalyst loading / bulk densityINPUT
Show Calculation
INPUT

ρ_b = supplied packed-bed bulk density

Substitution in SI

600 kg/m³

= 600 kg/m³

Mass per packed-bed volume; not particle density.

Dimensions checked against the declared SI output unit.

600kg/m³
Bed void fractionINPUT
Show Calculation
INPUT

ε = supplied interparticle void fraction

Substitution in SI

0.4 1

= 0.4 1

Assumptions

  • Void fraction describes only interparticle space in a uniformly packed bed.

Dimensions checked against the declared SI output unit.

0.41
Interparticle void volume
Show Calculation
CALCULATED RESULT

V_v = ε V_b

Substitution in SI

(0.4 1 × 0.00000785398 m³)

= 3.14e-6

Display conversion: divide the SI value by 0.000001000003.14 mL.

Assumptions

  • Void fraction describes only interparticle space in a uniformly packed bed.
  • The packed region is a uniform cylinder.

Dimensions checked against the declared SI output unit.

3.14mL

Flow & contact

Quantity / calculationValueUnit
Operating volumetric flow
Show Calculation
CALCULATED RESULT

Q_op = Q_ref (T_op/T_ref)(P_ref/P_op)

Substitution in SI

((0.00000166667 m³/s × (523.15 K / 273.15 K)) × (101325 Pa / 100000 Pa))

= 3.23e-6 m³/s

Display conversion: divide the SI value by 1.66667e-8194 mL/min.

Assumptions

  • The gas obeys PV = nRT (Z = 1); no reaction or change in composition between flow states.

Dimensions checked against the declared SI output unit.

194mL/min
Reference volumetric flowINPUT
Show Calculation
INPUT

Q_ref = supplied volumetric flow at the declared reference state

Substitution in SI

0.00000166667 m³/s

= 1.67e-6 m³/s

Display conversion: divide the SI value by 1.66667e-8100 mL/min.

Dimensions checked against the declared SI output unit.

100mL/min
Superficial velocity
Show Calculation
CALCULATED RESULT

u_s = Q_op / A

Substitution in SI

(0.00000323438 m³/s / 0.0000785398 m²)

= 0.0412 m/s

Assumptions

  • The gas obeys PV = nRT (Z = 1); no reaction or change in composition between flow states.
  • The packed region is a uniform cylinder.

Dimensions checked against the declared SI output unit.

0.0412m/s
Interstitial velocity
Show Calculation
CALCULATED RESULT

u_i = u_s / ε

Substitution in SI

(0.0411813 m/s / 0.4 1)

= 0.103 m/s

Assumptions

  • Void fraction describes only interparticle space in a uniformly packed bed.
  • The gas obeys PV = nRT (Z = 1); no reaction or change in composition between flow states.
  • The packed region is a uniform cylinder.

Dimensions checked against the declared SI output unit.

0.103m/s
Empty-bed space time
Show Calculation
CALCULATED RESULT

τ_b = V_b / Q_op

Substitution in SI

(0.00000785398 m³ / 0.00000323438 m³/s)

= 2.43 s

Assumptions

  • Gas flow and voidage are spatially uniform and constant.
  • The packed region is a uniform cylinder.
  • The gas obeys PV = nRT (Z = 1); no reaction or change in composition between flow states.

Dimensions checked against the declared SI output unit.

2.43s
Nominal void residence time
Show Calculation
CALCULATED RESULT

τ_v = ε V_b / Q_op

Substitution in SI

(0.00000314159 m³ / 0.00000323438 m³/s)

= 0.971 s

Excludes intraparticle hold-up; not a measured residence-time distribution.

Assumptions

  • Gas flow and voidage are spatially uniform and constant.
  • Void fraction describes only interparticle space in a uniformly packed bed.
  • The packed region is a uniform cylinder.
  • The gas obeys PV = nRT (Z = 1); no reaction or change in composition between flow states.

Dimensions checked against the declared SI output unit.

0.971s
Operating space velocity
Show Calculation
CALCULATED RESULT

SV_op = Q_op / V_b

Substitution in SI

(0.00000323438 m³/s / 0.00000785398 m³)

= 0.412 s⁻¹

Display conversion: divide the SI value by 0.0002777781,480 h⁻¹.

Operating gas volume per packed-bed volume.

Assumptions

  • The gas obeys PV = nRT (Z = 1); no reaction or change in composition between flow states.
  • The packed region is a uniform cylinder.

Dimensions checked against the declared SI output unit.

1,480h⁻¹
GHSV at reference conditions
Show Calculation
CALCULATED RESULT

GHSV_ref = Q_ref / V_b

Substitution in SI

(0.00000166667 m³/s / 0.00000785398 m³)

= 0.212 s⁻¹

Display conversion: divide the SI value by 0.000277778764 h⁻¹.

Reference gas volume per packed-bed volume. No universal standard state is implied.

Assumptions

  • The packed region is a uniform cylinder.

Dimensions checked against the declared SI output unit.

764h⁻¹

Gas & loading

Quantity / calculationValueUnit
Gas density at operating state
Show Calculation
CALCULATED RESULT

ρ_g = P_op M / (R T_op)

Substitution in SI

((100000 Pa × 0.028 kg/mol) / (8.31446 J/(mol·K) × 523.15 K))

= 0.644 kg/m³

Assumptions

  • The gas obeys PV = nRT (Z = 1); no reaction or change in composition between flow states.

Dimensions checked against the declared SI output unit.

0.644kg/m³
Molar flow
Show Calculation
CALCULATED RESULT

ṅ = PQ / (RT), at the entered flow state

Substitution in SI

((101325 Pa × 0.00000166667 m³/s) / (8.31446 J/(mol·K) × 273.15 K))

= 7.44e-5 mol/s

Display conversion: divide the SI value by 0.00001666674.46 mmol/min.

Assumptions

  • The gas obeys PV = nRT (Z = 1); no reaction or change in composition between flow states.

Dimensions checked against the declared SI output unit.

4.46mmol/min
Total inlet gas mass flow
Show Calculation
CALCULATED RESULT

ṁ = ṅ M

Substitution in SI

(0.0000743584 mol/s × 0.028 kg/mol)

= 2.08e-6 kg/s

Display conversion: divide the SI value by 2.77778e-77.5 g/h.

Assumptions

  • The gas obeys PV = nRT (Z = 1); no reaction or change in composition between flow states.

Dimensions checked against the declared SI output unit.

7.5g/h
WHSV · total inlet gas
Show Calculation
CALCULATED RESULT

WHSV = ṁ / m_c

Substitution in SI

(0.00000208203 kg/s / 0.00471239 kg)

= 4.42e-4 s⁻¹

Display conversion: divide the SI value by 0.0002777781.59 h⁻¹.

Total inlet gas mass per catalyst mass; not reactant-only WHSV.

Assumptions

  • The gas obeys PV = nRT (Z = 1); no reaction or change in composition between flow states.
  • The packed region is a uniform cylinder.

Dimensions checked against the declared SI output unit.

1.59h⁻¹

Pressure drop

Quantity / calculationValueUnit
Viscous contribution
Show Calculation
CALCULATED RESULT

ΔP_v = 150 μ L (1−ε)² u_s / (ε³ d_p²)

Substitution in SI

(((((150 × 0.000025 Pa·s) × 0.1 m) × ((1 − 0.4 1))^2) × 0.0411813 m/s) / ((0.4 1)^3 × (0.001 m)^2))

= 86.9 Pa

Assumptions

  • Steady single-phase flow through a fixed bed of uniform spheres; constant viscosity and density.
  • Void fraction describes only interparticle space in a uniformly packed bed.
  • The gas obeys PV = nRT (Z = 1); no reaction or change in composition between flow states.
  • The packed region is a uniform cylinder.

Dimensions checked against the declared SI output unit.

86.9Pa
Inertial contribution
Show Calculation
CALCULATED RESULT

ΔP_i = 1.75 ρ_g L (1−ε) u_s² / (ε³ d_p)

Substitution in SI

(((((1.75 × 0.643721 kg/m³) × 0.1 m) × (1 − 0.4 1)) × (0.0411813 m/s)^2) / ((0.4 1)^3 × 0.001 m))

= 1.79 Pa

Assumptions

  • Steady single-phase flow through a fixed bed of uniform spheres; constant viscosity and density.
  • The gas obeys PV = nRT (Z = 1); no reaction or change in composition between flow states.
  • Void fraction describes only interparticle space in a uniformly packed bed.
  • The packed region is a uniform cylinder.

Dimensions checked against the declared SI output unit.

1.79Pa
Ergun pressure drop
Show Calculation
CALCULATED RESULT

ΔP = ΔP_v + ΔP_i

Substitution in SI

(86.8669 Pa + 1.79105 Pa)

= 88.7 Pa

Constant-property estimate at the entered operating/inlet state.

Assumptions

  • Steady single-phase flow through a fixed bed of uniform spheres; constant viscosity and density.
  • The gas obeys PV = nRT (Z = 1); no reaction or change in composition between flow states.
  • Void fraction describes only interparticle space in a uniformly packed bed.
  • The packed region is a uniform cylinder.

Dimensions checked against the declared SI output unit.

88.7Pa

— indicates missing prerequisites or a withheld result. Inspect its calculation for details. Numerical precision does not establish physical accuracy.

03

First-principles checks

PASS11WARNING1FAIL0NOT CHECKED5
Active input bounds & signsPASS

Input validation · Active finite inputs are checked against physical sign and range constraints. Invalid inputs suppress dependent results.

Mass / density / geometry agreementNOT CHECKED

Mass consistency · Supply independent catalyst mass, bulk density, diameter, and length to check their agreement.

Voidage magnitudePASS

Magnitude screening · The 0.2–0.8 interval is a broad screening heuristic, not a validated packing range. Independently verify the actual bed voidage.

Tube / particle diameterPASS

Model applicability · D/d_p = 10. A ratio ≤ 1 cannot represent this packed-bed model. Below 10, review wall effects; 10 is a screening heuristic, not a universal validity limit.

Bed length / particle diameterPASS

Model applicability · L/d_p = 100. A bed shorter than one sphere cannot contain it. Below 10, examine shallow-bed and entrance effects; 10 is a screening heuristic.

Pressure-drop / inlet-pressure ratioPASS

Physical bounds · ΔP/P_in = 0.0887%. Above 10%, constant-density Ergun needs a compressible model review (screening heuristic). At or above 100%, the implied outlet pressure is nonpositive and the total is withheld.

Dimensional consistencyPASS

Dimensions · 21 evaluated expressions match their declared SI dimensions. Dimensions propagate through the same operations that compute the values.

Canonical SI unitsPASS

Units · The engine accepts SI only. The interface checks field dimensions and converts explicitly; pressure is absolute and gas-law temperature is kelvin.

ṁ = ρ_g Q_op = ṅ MPASS

Equation consistency · An algebraic implementation check only; this does not independently establish a physical stream balance.

Reference / operating molar-flow identityPASS

Equation consistency · An algebraic implementation check only; this does not independently establish a physical stream balance.

Mass balanceNOT CHECKED

Conservation · No independent inlet/outlet, generation, or accumulation evidence is supplied by this module.

Mole balanceNOT CHECKED

Conservation · No independent inlet/outlet, generation, or accumulation evidence is supplied by this module.

Elemental balanceNOT CHECKED

Conservation · No independent inlet/outlet, generation, or accumulation evidence is supplied by this module.

Energy balanceNOT CHECKED

Conservation · No independent inlet/outlet, generation, or accumulation evidence is supplied by this module.

Model assumptionsWARNING

Assumption tracking · 5 model assumptions need independent verification. Three displayed significant figures do not imply 0.1% accuracy; measurement uncertainty and model limits may dominate.

Finite results & stable arithmeticPASS

Numerical stability · Nonfinite and underflow arithmetic is intercepted. Singular physical states are rejected; undefined zero-flow time ratios are not rendered as Infinity.

Explicit input-unit conversionPASS

Units · 12 active input values converted to SI with field-dimension validation. Blank values stay missing.

Engineering Review

Model, assumptions & sources

What model is being evaluated?

A nonreacting, uniform cylindrical packed bed at one operating state. Geometry and flow ratios come from their definitions. Gas properties and flow-state conversions use the ideal-gas law. The optional Ergun model is an empirical pressure-drop estimate.

Each result’s Show Calculation view exposes its equation, SI substitutions, display conversion, and relevant assumptions. Units are checked by dimensional arithmetic in the calculation engine.

What assumptions were made?

  • ASSUMPTION · UNVERIFIEDThe packed region is a uniform cylinder.

    A single diameter and packed length define bed geometry.

  • ASSUMPTION · UNVERIFIEDThe gas obeys PV = nRT (Z = 1); no reaction or change in composition between flow states.

    Required for gas density and flow-state conversion. No gas property database or real-gas correction is used.

  • ASSUMPTION · UNVERIFIEDVoid fraction describes only interparticle space in a uniformly packed bed.

    Envelope density includes particle pores; skeletal density cannot be substituted.

  • ASSUMPTION · UNVERIFIEDGas flow and voidage are spatially uniform and constant.

    Times are nominal kinematic ratios, excluding dispersion and intraparticle hold-up.

  • ASSUMPTION · UNVERIFIEDSteady single-phase flow through a fixed bed of uniform spheres; constant viscosity and density.

    Ergun is empirical. Wall, entrance, support losses, nonsphericity, fluidization, and axial compressibility are not modeled; no universal validity range is asserted.

Are conservation laws satisfied?

The first-principles panel checks applicable equation identities and redundant inventory data. A physical reactor mass, mole, elemental, or energy balance is NOT CHECKED because independent streams, reaction, accumulation, and heat/work data are absent. An algebraic identity passing is not independent evidence of conservation.

What should an engineer independently verify?

  • Flowmeter reference temperature and absolute pressure, mixture molecular weight, and operating viscosity.
  • Actual packed length, diameter, catalyst inventory, packing uniformity, and interparticle voidage.
  • Whether ideal-gas behavior, uniform flow, and sphere-packing assumptions apply.
  • Whether compressibility, wall effects, reaction, fluidization, or distributor/support losses require a more detailed model.
  • Input measurement uncertainty and its impact on useful significant figures.

Screening thresholds are product heuristics, not published guarantees of model validity. No universal Ergun validity range is asserted.

Constants & provenance

REFERENCE DATA Molar gas constant
8.31446261815324 J/(mol·K), from NIST SI constants.
EMPIRICAL VALUE Ergun coefficients
150 (viscous) and 1.75 (inertial), dimensionless.

Inputs are user-supplied values; the initial example is illustrative, not a property dataset. Derived inventory and voidage values are labelled DERIVED. Formula outputs are CALCULATED RESULT.

Active inputs in canonical SI

Bed diameter
0.01 m
Packed-bed length
0.1 m
Bed bulk density
600 kg/m³
Sphere particle diameter
0.001 m
Interparticle void fraction
0.4 1
Gas volumetric flow
0.00000166666666667 m³/s
Operating temperature
523.15 K
Operating / inlet pressure
100000 Pa
Reference temperature
273.15 K
Reference pressure
101325 Pa
Gas molecular weight
0.028 kg/mol
Dynamic viscosity
0.000025 Pa·s

Scientific sources