CTserver web service documentation { WSDL file: "berman?wsdl" }

Target namespace: urn:berman

Overview: This web service provides a procedure to calculate thermodynamic properties of any phase in the Berman (1988) database. There is an additional procedure that returns properties of a reaction involving two or more phases, and another that locates a locus of points in temperature-pressure space defining the boundary of a univariant reaction. The Berman phase index number must be input. These are listed here.

Services
BermanService
Bindings
bermanSoapBinding
Port types
Berman
Messages
univariantRequest, univariantResponse, calculateTPRequest, reactionTPResponse, calculateTPResponse, reactionTPRequest,

Services
Name Documentation
BermanService
See overview above


Service : BermanService
Port Name Binding Address Extensibility Documentation
berman bermanSoapBinding <wsdlsoap:address location="http://www.ofm-research.org:8080/axis/services/berman"/>
URL for accessing the web service


Binding : bermanSoapBinding
Port Type Berman
Extensibility <wsdlsoap:binding style="rpc" transport="http://schemas.xmlsoap.org/soap/http"/>
Operations calculateTP, reactionTP, univariant,


Port Type : Berman
Operation Name Input message Output message Documentation
calculateTP calculateTPRequest calculateTPResponse
Calculates thermodynamic properties of a Berman phase at a given temperature (T) and pressure (P)
reactionTP reactionTPRequest reactionTPResponse
Calculates thermodynamic properties of a balanced chemical reaction involving Berman phases at a given T and P
univariant univariantRequest univariantResponse
Calculates the locus of (T,P) points of a balanced chemical reaction involving Berman phases that define a univariant reaction


Messages:



univariantRequest

Documentation :

Input to univariant reaction calculator

Part Name Element Type Documentation
in0 N/A impl:ArrayOf_xsd_int
Array of indices of Berman phases.
in1 N/A impl:ArrayOf_xsd_double
Array of stoichiometric coefficients for phases selected by "in0." Note: reactants have negative coefficients and products have positive coefficients.
in2 N/A xsd:double
Minimum temperature (K) of search range for univariant curve (Tmin).
in3 N/A xsd:double
Maximum temperature (K) of search range for univariant curve (Tmax).
in4 N/A xsd:double
Minimum pressure (bars) of search range for univariant curve (Pmin).
in5 N/A xsd:double
Maximum pressure (bars) of search range for univariant curve (Pmax).
in6 N/A xsd:int
Number of (T, P) pairs (inclusive) to return between Tmin and Tmax (nPoints).



univariantResponse

Documentation :

Output from Univariant curve calculator

Part Name Element Type Documentation
univariantReturn N/A impl:ArrayOfArrayOf_xsd_double
Array of (T, P) pairs of length nPoints. T in Kevins, P in bars.



calculateTPRequest

Documentation :

Input to calculateTP procedure

Part Name Element Type Documentation
in0 N/A xsd:int
index of Berman phase.
in1 N/A xsd:double
Temperature in Kelvins.
in2 N/A xsd:double
Pressure in bars.



reactionTPResponse

Documentation :

Output from reactionTP procedure

Part Name Element Type Documentation
reactionTPReturn N/A impl:ArrayOf_xsd_double

Array containing: [0] ΔG (J/mol), [1] ΔH (J/mol), [2] ΔS (J/K-mol), [3] ΔV (cm3/mol), [4] ΔCP (J/K-mol), [5] dΔCP/dT (J/K2-mol), [6] dΔV/dT (cm3/K-mol), [7] dΔV/dP (cm3/bar-mol), [8] d2ΔV/dT2 (cm3/K2-mol), [9] d2ΔV/dTdP (cm3/K-bar-mol), [10] d2ΔV/dP2 (cm3/bar2-mol). These are the standard state properties of the specified reaction. The procedure does not check if the specified reaction is balanced.




calculateTPResponse

Documentation :

Output from calculateTP procedure

Part Name Element Type Documentation
calculateTPReturn N/A impl:ArrayOf_xsd_double
Array containing: [0] ΔGf (J/mol), [1] ΔHf (J/mol), [2] S (J/K-mol), [3] V (cm3/mol), [4] CP (J/K-mol), [5] dCP/dT (J/K2-mol), [6] dV/dT (cm3/K-mol), [7] dV/dP (cm3/bar-mol), [8] d2V/dT2 (cm3/K2-mol), [9] d2V/dTdP (cm3/K-bar-mol), [10] d2V/dP2 (cm3/bar2-mol). These are the thermodynamic properties of the specified phase. Note that ΔGf and ΔHf are apparent Gibbs free energies and enthalpies of formation from the elements where the Berman phase is at T and P, but the elements are at 298.15 K and 1 bar.



reactionTPRequest

Documentation :

Output from reactionTP procedure

Part Name Element Type Documentation
in0 N/A impl:ArrayOf_xsd_int
Array of indices of Berman phases.
in1 N/A impl:ArrayOf_xsd_double
Array of stoichiometric coefficients for phases selected by "in0." Note: reactants have negative coefficients and products have positive coefficients.
in2 N/A xsd:double
Temperature in Kelvins.
in3 N/A xsd:double
Pressure in bars.