PHREEQC Aqueous Speciation

from cognichem_client import CogniChem

client = CogniChem.from_env()  # reads COGNICHEM_API_KEY
payload = {
    "mode": "speciation",
    "database": "phreeqc.dat",
    "problem_spec": {
        "temperature": 25,
        "pH": 7,
        "solutes": [{"name": "Na", "amount": 0.01}, {"name": "Cl", "amount": 0.01}],
    },
}

estimate = client.jobs.estimate(job_type="phreeqc", payload=payload, resource="cpu")
print(f"Reserves ${estimate.cost:.2f}")

job = client.jobs.submit(
    job_name="my-phreeqc-run",
    job_type="phreeqc",
    payload=payload,
    resource="cpu",
)
status = client.jobs.wait(job.process_id)
if status.status == "completed":
    client.jobs.result(job.process_id, save_path=".")

curl -X POST "https://api.cognichem.com/api/v1/jobs/submit" \
  -H "X-Api-Key: $COGNICHEM_API_KEY" \
  -H "Idempotency-Key: $(uuidgen)" \
  -H "Content-Type: application/json" \
  -d '{
  "job_name": "my-phreeqc-run",
  "job_type": "phreeqc",
  "payload": {
    "mode": "speciation",
    "database": "phreeqc.dat",
    "problem_spec": {
      "temperature": 25,
      "pH": 7,
      "solutes": [
        {
          "name": "Na",
          "amount": 0.01
        },
        {
          "name": "Cl",
          "amount": 0.01
        }
      ]
    }
  },
  "resource": "cpu"
}'

{
  "mode": "speciation",
  "database": "phreeqc.dat",
  "problem_spec": {
    "temperature": 25,
    "pH": 7,
    "solutes": [
      {
        "name": "Na",
        "amount": 0.01
      },
      {
        "name": "Cl",
        "amount": 0.01
      }
    ]
  }
}