B ^\_`,@sLdZddlZddlmZddlmZddlmZddl Z Gddde Z dS)a  Author: Vegard G. Jervell Date: December 2020 Purpose: Parent class containing some general procedures to be used in both Kempers89 and Kempers01 Requires: numpy, ThermoPack Note: This is a virtual class, and will not do anything exciting if initialized on its own. N)cubic) KineticGas) gas_constantc@seZdZddgdddfddZddZd d Zd d Zd dZddZddZ ddZ d(ddZ d)ddZ d*ddZ d+ddZd,dd Zd-d!d"Zd#d$Zd%d&Zd'S).Kempersg?i,gj@c s||_t||_||_||_||_d|_fdd|jdD}d|krzt d|dt |_ |j |jdn~tt|tt|krdfd d t|D}t d |d |jd |dt |_ |j |jdn|_ dS)a KempersXX parent class, contains interface for retrieving soret-coefficient for spans of temperatures, pressures or compositions and some general initialization procedures that are common for the two KempersXX' models :param comps (str): comma separated list of components :param x (1darray): list of mole fractions :param eos (ThermoPack): Initialized Equation of State object, initialized with components 'comp' :param temp (float > 0): Temperature [K] :param pres (float > 0): Pressure [Pa] :param phase: Phase of mixture, used for calculating dmudn_TP, see thermo.thermopack for phase identifiers rcsg|]}|qS) getcompindex).0comp)eosrS/Users/vegardjervell/Documents/7_semester/irrev_prosjekt_renskriv/models/kempers.py #sz$Kempers.__init__..,zjEquation of state and KempersXX must be initialized with same components. I'm initializing using SRK with z now to avoid crashingSRKc3s|]}|VqdS)N) get_comp_name)r i)r rr +sz#Kempers.__init__..ztEquation of state and KempersXX must be initialized with same components in the same order but are initialized with z and z". I'm initializing using SRK with N)compsnparrayxtemppresphase total_molessplitwarningswarnrr initanysortedjoin) selfrr rrrr eoscomp_indseoscompsr)r r __init__s&     zKempers.__init__cCs||_|j|dS)N)Zmin_tempr set_tmin)r#rrrr set_min_temp6szKempers.set_min_tempcCs ||_dS)N)r)r#rrrr set_temp:szKempers.set_tempcCs ||_dS)N)r)r#rrrr set_pres=szKempers.set_prescCst||_|dS)N)rrrreset_alpha_t0)r#rrrr set_mole_fracs@s zKempers.set_mole_fracscsfdd|jdD}d|kr0tddStt|tt|krdfddt|D}td |d |jd dS|_ d Sd S)zb Change equation of state :param eos_key (str): new equation of state key csg|]}|qSr)r)r r )r rr r Isz#Kempers.set_eos..rrzdEquation of state and KempersXX must have the same components.I'm just not going to change anything!rc3s|]}|VqdS)N)r)r r)r rr rPsz"Kempers.set_eos..z]Equation of state and KempersXX must have the same components in the same orderbut are given z and z.I'm not changing anything!rN) rrrrr rrr!r"r )r#r r$r%r)r r set_eosDs zKempers.set_eoscCs&|j}||_||dkrn||_dS)z Change components :param comps: Comma separated list of components :param eos: Initialized equation of state, with same components as 'comp' rN)rr-)r#rr Z old_compsrrr set_compsYs zKempers.set_compscCsdS)Nr)r#rrr r+gszKempers.reset_alpha_t0FcCsdS)Nr)r#kinrrr get_soret_covkszKempers.get_soret_covcCsdS)Nr)r#r/rrr get_soret_compszKempers.get_soret_comcCsd|j|d|j|dS)Ng?)r/)r0r1)r#r/rrr get_soret_avguszKempers.get_soret_avgcovc Cs|dkr|j}n<|dkr |j}n,|dkr0|j}ntdt|d|j}dd|jD}t|}t |j dkr|j d t |jkrd|}tj t |t |fdd }n|j d t |jkr|g}nf|j dt |jdkrdtj |dd }tj |t |fdd }n |j dt |jkr*ntd |d krt|j t}t|j t}x:t|D].\} } | |_|||d \|| <|| <qbWt||_||fSt|j t}x.t|D]"\} } | |_|||| <qWt||_|SdS)a  Get soret-coefficients for a range of compositions Args: x : array-like mole fractions of components, if N - 1 components are given, N is calculated implicitly row i is composition i, column j is mole fraction of component j [[x1, x2, ..., xN], #composition 1 [x1, x2, ..., xN]] #composition 2 return: tuple of floats or ndarrays, matching shape of input : soret coefficients at given composition(s) r3comavgz/mode must be either 'cov', 'com' or 'avg', not z defaulting back to 'cov'cSsg|]}|qSrr)r Zfracrrr r sz*Kempers.get_soret_comp..rr)axisz&x must contain N-1 or N mole fractionsT)r/N)r0r1r2rrstrrrrlenshape concatenatevstacksum IndexErroremptyfloat enumerater+ transpose) r#rmoder/ get_soretZold_mole_fracsZxNsoret kin_contribrZfracsrrr get_soret_compysL      zKempers.get_soret_compc Csd|dkr|j}n<|dkr |j}n,|dkr0|j}ntdt|d|j}|j}t|tt j fkr|dkrt t |t |j f}t t |t |j f}xpt|D]$\}} | |_||d\||<||<qWn>t t |t |j f}xLt|D]\}} | |_|||<qWn&||_|dkr2||d\}}n|}||_|dkrX||fS|SdS) a/ Get soret coefficients for a range of temperatures Args: temps (int, float or array-like) : temperature(s) [K] to get soret-coefficients for return: tuple of floats or arrays, matching shape of input : Soret-coefficients at given temperature(s) r3r4r5z/mode must be either 'cov', 'com' or 'avg', not z defaulting back to 'cov'T)r/N)r0r1r2rrr7rtypelistrndarrayr>r8rr@rA) r#tempsrBr/rCZold_temprDrErTrrr get_soret_temps8   zKempers.get_soret_tempcCs|dkr|j}n<|dkr |j}n,|dkr0|j}ntdt|d|j}|j}t|tt j fkrt t |t |j f}x2t|D]\}}||_|||<qWn ||_|}||_|S)a6 Get soret coefficients for a range of pressures Args: pressures (float or array-like) : pressure(s) [Pa] to get soret-coefficients for return: tuple of floats or arrays, matching shape of input : Soret-coefficients at given pressure(s) r3r4r5z/mode must be either 'cov', 'com' or 'avg', not z defaulting back to 'cov')r0r1r2rrr7rrGrHrrIr>r8rr@)r#Z pressuresrBrCZold_presrDrrrrr get_soret_press$ zKempers.get_soret_prescCs|jj|j|j|j|jdd\}}|jj|j||j|j|jdd\}}|jj|j||j|j|jdd\}}|t j ||ddS)z Calculate chemical potential derivative with respect to number of moles at constant temperature and pressure :return: ndarray, dmudn[i,j] = dmu_idn_j T)dvdn)dmudn)dpdnr)axes) r specific_volumerrrrchemical_potential_tvr pressure_tvr tensordot)r#vrNmuZdmudn_TVrrPrrr dmudn_TPs "(zKempers.dmudn_TPcCsd|}tjtt|jd|jddtt|jd|jdd|j|j}t||S)z Calculate chemical potential derivative with respect to mole fraction of components at constant temperature and pressure :return: ndarray, dmudx[i,j] = dmu_idn_j rr)rQr) rXrrUonesr8ridentityrdot)r#rOZM1rrr dmudx_TPs 0zKempers.dmudx_TPN)F)F)F)r3F)r3F)r3)__name__ __module__ __qualname__r&r(r)r*r,r-r.r+r0r1r2rFrLrMrXr\rrrr rs &    @ 1 % r) __doc__numpyrpycThermopack.pyctprmodels.kineticgasrscipy.constantsrrobjectrrrrr s