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Fix VLE.set_PH when (vle) chemicals exist#100

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fix/vle-no-equilibrium-setup
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Fix VLE.set_PH when (vle) chemicals exist#100
yalinli2 wants to merge 1 commit into
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fix/vle-no-equilibrium-setup

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@yalinli2 yalinli2 commented Jul 16, 2026 •
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@yoelcortes
Previously, when NoEquilibrium was raised for no chemicals/vle chemicals, self._N (would be 0 for these cases) was not set, so set_PH does resolve to the correct fix below:

        if self._N == 0:
            thermal_condition.T = self.mixture.xsolve_T_at_HP(
                self._phase_data, H, thermal_condition.T, P
            )
            return

Note: the following block does set thermal_condition and thermal_condition.P, but not thermal_condition.T

        elif P_spec:
            if V_spec:
                try:
                    self.set_PV(P, V, gas_conversion, liquid_conversion, wt=wt)
                except NoEquilibrium:
                    thermal_condition = self._thermal_condition
                    thermal_condition.P = P
            elif H_spec:
                try:
                    self.set_PH(P, H, gas_conversion, liquid_conversion)
                except NoEquilibrium:
                    thermal_condition = self._thermal_condition
                    thermal_condition.P = P

Similar issues might exist for setup_PS as well, thanks.

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