🥮 mooncakes.io

    moonbit-adsorption

    A MoonBit library for adsorption isotherm and fixed-bed breakthrough curve calculations.

    adsorption
    chemistry
    isotherm
    fixed-bed
    Download zip
    Author
    Version
    0.2.1
    License
    Apache-2.0
    Repository
    Last updated
    2 months ago
    Downloads
    39

    No dependencies

    #moonbit-adsorption

    A pure MoonBit library for adsorption equilibrium models, batch kinetics, and fixed-bed column analysis. It is designed for reproducible calculations in water treatment, gas purification, materials characterization, and adsorption-process engineering.

    #Project positioning

    The library provides composable numerical building blocks rather than a single application workflow:

    • fit adsorption models directly in the original physical space;
    • evaluate batch-kinetic and equilibrium curves;
    • simulate one-dimensional fixed-bed breakthrough behavior;
    • derive engineering metrics from experimental or simulated curves;
    • keep the core implementation portable across MoonBit targets.

    #Core capabilities

    #Equilibrium models

    Langmuir, Freundlich, Temkin, Sips, Toth, Redlich–Peterson, BET, Dubinin–Radushkevich, Halsey, and Harkin–Jura prediction and fitting APIs.

    #Kinetic models

    Pseudo-first-order, pseudo-second-order, Elovich, and intraparticle-diffusion models, including parameter fitting, initial-rate calculations, half-time estimates, and regression metrics.

    #Fixed-bed analysis

    Thomas, Yoon–Nelson, Clark, and BDST equations; breakthrough interpolation; 5%, 10%, 50%, and 90% threshold times; treated volume; removal-capacity estimates; MTZ, EBCT, Ergun pressure drop, and common dimensionless groups.

    #Numerical utilities

    Nelder–Mead and bounded optimization, root finding, adaptive ODE integration, linear algebra and least squares, interpolation and cubic splines, process-unit conversion, observation-table quality control, signal analysis, experiment design, and sensitivity analysis.

    #Process analytics

    The production APIs also cover competitive multicomponent loading, temperature correction and thermodynamic summaries, batch mass balances, deterministic uncertainty summaries, control-chart rules, baseline removal, peak detection, response-time metrics, and column-cycle operating indicators.

    #Quick start

    Install the module in a MoonBit project:

    moon add weidekais/moonbit-adsorption

    Run the checks and tests:

    moon check
moon test

    Fit a Langmuir model:

    test {
      let data = [
        @isotherm.AdsorptionData::{ c: 1.0, q: 3.3333333333 },
        @isotherm.AdsorptionData::{ c: 2.0, q: 5.0 },
        @isotherm.AdsorptionData::{ c: 4.0, q: 6.6666666667 },
        @isotherm.AdsorptionData::{ c: 8.0, q: 8.0 },
      ]
      let result = @isotherm.fit_langmuir(data)
      inspect(result.q_m > 9.9 && result.q_m < 10.1, content="true")
      inspect(result.k_l > 0.49 && result.k_l < 0.51, content="true")
    }

    #Command-line example

    The repository includes a runnable benchmark and end-to-end example:

    moon run --target native benchmarks

    The example fits equilibrium data, runs a fixed-bed simulation, and prints the resulting breakthrough metrics. It is intended as a small executable reference for integrating the library into a command-line workflow.

    #Architecture

    utils/
  optimization, root finding, ODE, linear algebra, interpolation, units, tables, quality control, signal analysis
isotherm/
  equilibrium models, kinetic models, temperature and mixture models, fitting, diagnostics
fixed_bed/
  dynamic single- and multicomponent simulation, breakthrough analysis, cycle operations, design screening
benchmarks/
  runnable native example and reproducible numerical workload

    The package boundaries follow the computational flow: utils provides reusable numerical primitives, isotherm owns equilibrium and batch-kinetic models, and fixed_bed consumes model callbacks to simulate and analyze column behavior.

    #Benchmark

    The benchmark uses five Langmuir observations and a fixed-bed workload with 51 spatial grid points and 1,000 time steps. The following values are from a local Windows native run of moon run --target native benchmarks:

    MeasurementResult
    fitted q_m10.000000000024196
    fitted k_l0.499999999996915
    R²1
    simulation steps1,000
    50% breakthrough time9.99
    removal-capacity metric199.1335926829373
    end-to-end command time, one run409.61 ms

    Five repeated native runs measured from the shell were 388.82 ms, 451.05 ms, 556.53 ms, 405.85 ms, and 415.62 ms; median 415.62 ms, minimum 388.82 ms, maximum 556.53 ms. These timing values include the already-built local target and are environment-specific; the numerical outputs above are the portable reference values.

    Numerical outputs are the stable reference values. End-to-end time depends on the host, compiler cache, and first-build state.

    #Tests

    Run the complete local validation sequence:

    moon fmt --check
moon check --target all --deny-warn
moon test --target all --deny-warn
moon info
git diff --exit-code

    The test suite covers equilibrium fitting, kinetic fitting, optimizer behavior, fixed-bed simulation, breakthrough metrics, numerical utilities, invalid inputs, and boundary conditions.

    #CI

    GitHub Actions runs on Ubuntu, macOS, and Windows. The workflow installs the current MoonBit stable toolchain using the official platform installers and runs:

    • moon fmt --check;
    • moon check --target all --deny-warn;
    • moon test --target all --deny-warn;
    • native regression tests;
    • generated public-interface checks;
    • the runnable benchmark.

    #License

    Apache-2.0. See LICENSE.

    Powered by MoonBit

    Site sourceReport issueModulesSkillsCLIBuild queueStatistics

    © 2026 mooncakes.io