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Convergence improvement for tp_flash#219

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prehner merged 2 commits into
mainfrom
tp_flash_initialization
Jan 11, 2024
Merged

Convergence improvement for tp_flash#219
prehner merged 2 commits into
mainfrom
tp_flash_initialization

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@prehner

@prehner prehner commented Jan 11, 2024

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In some cases, when the different solutions found by a stability analysis are right above the equality threshold, an almost trivial solution is used to initialize the tp flash for cases that could otherwise be solved very robustly.

MRE:

from feos.si import *
from feos.pcsaft import *
from feos.eos import *
import numpy as np

pcsaft = PcSaftParameters.from_json(['cyclopentane', 'propylene'], '../input/esper2023.json')
eos = EquationOfState.pcsaft(pcsaft)

state = State(eos, 343.7964273175933*KELVIN, partial_density=np.array([78.77667866249813, 423.48238669680353])*MOL/METER**3)
state.tp_flash()

@prehner
prehner requested a review from g-bauer January 11, 2024 09:06
@prehner
prehner merged commit 7335de9 into main Jan 11, 2024
@prehner
prehner deleted the tp_flash_initialization branch January 11, 2024 15:29
@prehner prehner added this to the v0.7.0 milestone Mar 17, 2024
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