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氯堿薄膜電池作者COMSOL報(bào)告日期2016-5-1115:00:15總結(jié)本案例描述氯堿薄膜電池中陽(yáng)極和陰極結(jié)構(gòu)上的二次電流分布。模擬了整個(gè)電池中的一個(gè)單元。目錄TOC\o"1-2"\h\z\u1. 全局定義 PAGEREFcs9032202\h1.1. 參數(shù)1 PAGEREFcs8327624\h2. Component1 PAGEREFcs3338845\h2.1. 定義 PAGEREFcs4558561\h2.2. Geometry1 PAGEREFcs7164048\h2.3. 材料 PAGEREFcs4144993\h2.4. SecondaryCurrentDistribution PAGEREFcs5074335\h2.5. Mesh1 PAGEREFcs1841656\h3. Study1 PAGEREFcs5800176\h3.1. Stationary PAGEREFcs1842802\h3.2. 求解器配置 PAGEREFcs8636582\h4. Results PAGEREFcs2590198\h4.1. DataSets PAGEREFcs6995871\h4.2. DerivedValues PAGEREFcs7732151\h4.3. Tables PAGEREFcs1268279\h4.4. 繪圖組 PAGEREFcs8729606\h全局定義作者COMSOL日期Oct21,20151:04:59PM全局設(shè)定名稱Chloralkali.mph路徑D:\ProgramFiles\COMSOL\COMSOL52\Multiphysics\applications\Electrochemistry_Module\Electrochemical_Engineering\chlor_alkali.mphCOMSOL版本COMSOL5.2(snapshot)(Build:147)單位系統(tǒng)SI使用的模塊COMSOLMultiphysicsBatteries&FuelCellsModule參數(shù)1參數(shù)名稱表達(dá)式值描述K_a50[S/m]50

S/mConductivity,anolyteK_c100[S/m]100

S/mConductivity,catholyteK_m3[S/m]3

S/mConductivity,membraneT90[degC]363.15

KTemperaturei0_c1[mA/m^2]0.001

A/m2Exchangecurrentdensity,cathodeE_pol1.19[V]1.19

VCellpolarizationvoltageComponent1作者COMSOL日期Oct21,20151:04:39PM組件設(shè)定單位系統(tǒng)SI幾何形參階次automatic定義坐標(biāo)系BoundarySystem1坐標(biāo)系類型邊界坐標(biāo)系標(biāo)記sys1坐標(biāo)名稱第一軸第二軸第三軸t1ntoGeometry1Geometry1單位長(zhǎng)度單位m角度單位deg幾何統(tǒng)計(jì)描述值空間維度2域數(shù)3邊界數(shù)20端點(diǎn)數(shù)18Import1(imp1)設(shè)定描述值源COMSOLMultiphysics文件文件名chlor_alkali.mphbin材料Material1Material1選擇幾何實(shí)體層次域選擇域3材料參數(shù)名稱值單位電解質(zhì)導(dǎo)電率K_cS/mElectrolyteconductivity設(shè)定DescriptionValue電解質(zhì)導(dǎo)電率{{K_c,0,0},{0,K_c,0},{0,0,K_c}}Material2Material2選擇幾何實(shí)體層次域選擇域2材料參數(shù)名稱值單位電解質(zhì)導(dǎo)電率K_mS/mElectrolyteconductivity設(shè)定DescriptionValue電解質(zhì)導(dǎo)電率{{K_m,0,0},{0,K_m,0},{0,0,K_m}}Material3Material3選擇幾何實(shí)體層次域選擇域1材料參數(shù)名稱值單位電解質(zhì)導(dǎo)電率K_aS/mElectrolyteconductivity設(shè)定DescriptionValue電解質(zhì)導(dǎo)電率{{K_a,0,0},{0,K_a,0},{0,0,K_a}}SecondaryCurrentDistribution使用的模塊COMSOLMultiphysicsBatteries&FuelCellsModuleSecondaryCurrentDistribution選擇幾何實(shí)體層次域選擇域1–3EquationsSettingsDescriptionValue電解質(zhì)電位線性計(jì)算邊界通量開應(yīng)用平滑到邊界通量開電勢(shì)線性計(jì)算邊界通量開應(yīng)用平滑到邊界通量開使用分裂復(fù)數(shù)變量時(shí)的值類型{復(fù)數(shù),復(fù)數(shù)}厚度1[m]流線擴(kuò)散開各向同性擴(kuò)散關(guān)變量名稱表達(dá)式單位描述選擇domflux.philxsiec.Ilx*siec.dA/m域通量x分量域1–3domflux.philysiec.Ily*siec.dA/m域通量y分量域1–3domflux.phisxsiec.Isx*siec.dA/m域通量x分量域1–3domflux.phisysiec.Isy*siec.dA/m域通量y分量域1–3siec.d1[m]m厚度域1–3siec.bndflux_phil-dflux_spatial(phil)A/m^2邊界通量邊界1–18siec.bndflux_phil0.5*(uflux_spatial(phil)-dflux_spatial(phil))A/m^2邊界通量邊界19–20siec.nIlsiec.bndflux_phil/siec.dA/m^2法向電解質(zhì)電流密度邊界1–20siec.nil0A/m^2向內(nèi)電解液電流密度域1–3siec.nis0A/m^2向內(nèi)電極電流密度域1–3siec.Qsi0A/m^3電流源域1–3siec.nxnx法矢,x分量邊界1–20siec.nyny法矢,y分量邊界1–20siec.nzroot.nz法矢,z分量邊界1–20siec.nxmeshroot.nxmesh法矢(網(wǎng)格),x分量邊界1–20siec.nymeshroot.nymesh法矢(網(wǎng)格),y分量邊界1–20siec.nzmeshroot.nzmesh法矢(網(wǎng)格),z分量邊界1–20Electrolyte1Electrolyte1選擇幾何實(shí)體層次域選擇域1–3方程SettingsDescriptionValue電解質(zhì)導(dǎo)電率來(lái)自材料來(lái)自材料的屬性屬性材料屬性組電解質(zhì)導(dǎo)電率Material1Electrolyteconductivity電解質(zhì)導(dǎo)電率Material2Electrolyteconductivity電解質(zhì)導(dǎo)電率Material3Electrolyteconductivity變量名稱表達(dá)式單位描述選擇siec.sigmalxxmaterial.sigmal11S/m電解質(zhì)導(dǎo)電率,xx分量域1–3siec.sigmalyxmaterial.sigmal21S/m電解質(zhì)導(dǎo)電率,yx分量域1–3siec.sigmalzxmaterial.sigmal31S/m電解質(zhì)導(dǎo)電率,zx分量域1–3siec.sigmalxymaterial.sigmal12S/m電解質(zhì)導(dǎo)電率,xy分量域1–3siec.sigmalyymaterial.sigmal22S/m電解質(zhì)導(dǎo)電率,yy分量域1–3siec.sigmalzymaterial.sigmal32S/m電解質(zhì)導(dǎo)電率,zy分量域1–3siec.sigmalxzmaterial.sigmal13S/m電解質(zhì)導(dǎo)電率,xz分量域1–3siec.sigmalyzmaterial.sigmal23S/m電解質(zhì)導(dǎo)電率,yz分量域1–3siec.sigmalzzmaterial.sigmal33S/m電解質(zhì)導(dǎo)電率,zz分量域1–3siec.tEx-philTxV/m切向電場(chǎng),x分量邊界1–20siec.tEy-philTyV/m切向電場(chǎng),y分量邊界1–20siec.tEz0V/m切向電場(chǎng),z分量邊界1–20siec.Ex-philxV/m電場(chǎng),x分量域1–3siec.Ey-philyV/m電場(chǎng),y分量域1–3siec.Ez0V/m電場(chǎng),z分量域1–3siec.ilx-siec.sigmalxx*philx-siec.sigmalxy*philyA/m^2電解質(zhì)電流密度,x分量域1–3siec.ily-siec.sigmalyx*philx-siec.sigmalyy*philyA/m^2電解質(zhì)電流密度,y分量域1–3siec.ilz-siec.sigmalzx*philx-siec.sigmalzy*philyA/m^2電解質(zhì)電流密度,z分量域1–3siec.Ilxsiec.ilxA/m^2電解質(zhì)電流密度矢量,x分量域1–3siec.Ilysiec.ilyA/m^2電解質(zhì)電流密度矢量,y分量域1–3siec.Ilzsiec.ilzA/m^2電解質(zhì)電流密度矢量,z分量域1–3siec.philphilV電解質(zhì)電位域1–3siec.sigmaleffxxsiec.sigmalxxS/m電解質(zhì)導(dǎo)電率,xx分量域1–3siec.sigmaleffyxsiec.sigmalyxS/m電解質(zhì)導(dǎo)電率,yx分量域1–3siec.sigmaleffzxsiec.sigmalzxS/m電解質(zhì)導(dǎo)電率,zx分量域1–3siec.sigmaleffxysiec.sigmalxyS/m電解質(zhì)導(dǎo)電率,xy分量域1–3siec.sigmaleffyysiec.sigmalyyS/m電解質(zhì)導(dǎo)電率,yy分量域1–3siec.sigmaleffzysiec.sigmalzyS/m電解質(zhì)導(dǎo)電率,zy分量域1–3siec.sigmaleffxzsiec.sigmalxzS/m電解質(zhì)導(dǎo)電率,xz分量域1–3siec.sigmaleffyzsiec.sigmalyzS/m電解質(zhì)導(dǎo)電率,yz分量域1–3siec.sigmaleffzzsiec.sigmalzzS/m電解質(zhì)導(dǎo)電率,zz分量域1–3siec.Qli0A/m^3電流源域1–3siec.IlMagsqrt(realdot(siec.Ilx,siec.Ilx)+realdot(siec.Ily,siec.Ily)+realdot(siec.Ilz,siec.Ilz))A/m^2電解質(zhì)電流密度大小域1–3siec.Qh-siec.Ilx*philx-siec.Ily*philyW/m^3總功率損耗密度域1–3形函數(shù)名稱形函數(shù)單位描述形函數(shù)框架選擇philLagrange(線性)V電解質(zhì)電位材料框架域1–3弱表達(dá)式弱表達(dá)式積分階次積分框架選擇(siec.Ilx*test(philx)+siec.Ily*test(phily)+siec.Qli*test(phil))*siec.d2材料框架域1–3Insulation1Insulation1選擇幾何實(shí)體層次邊界選擇邊界1–2,4–7,13–16方程形函數(shù)名稱形函數(shù)單位描述形函數(shù)框架選擇philLagrange(線性)V電解質(zhì)電位材料框架沒有邊界phisLagrange(線性)V電勢(shì)材料框架沒有邊界InitialValues1InitialValues1選擇幾何實(shí)體層次域選擇域1–3SettingsDescriptionValue電解質(zhì)電位E_pol電勢(shì)0ElectrodeSurface1ElectrodeSurface1選擇幾何實(shí)體層次邊界選擇邊界10–12,18方程SettingsDescriptionValue求解表面濃度變量開物質(zhì)摩爾質(zhì)量0.06355密度8960邊界延伸補(bǔ)償開膜阻無(wú)膜阻邊界條件電勢(shì)擾動(dòng)大小0外部電位0約束方法單元變量名稱表達(dá)式單位描述選擇siec.nilsiec.itotA/m^2向內(nèi)電解液電流密度邊界10–12,18siec.phisext00V外部電位邊界10–12,18siec.itot0A/m^2總界面電流密度邊界10–12,18siec.phisext0V外部電位邊界10–12,18siec.phis_(siec.phisext*siec.dvolfactor*siec.d)/siec.Area_eebii1V電勢(shì)全局siec.Ectsiec.phisext-philV電極電位邊界10–12,18siec.Area_(siec.dvolfactor*siec.d)m^2面積全局siec.dvolfactor11差別體積因子邊界10–12,18siec.itotavg_(siec.itot*siec.dvolfactor*siec.d)/siec.Area_eebii1A/m^2平均總界面電流密度全局siec.Tempmodel.input.minput_temperatureK溫度邊界10–12,18siec.rho8960kg/m^3密度邊界10–12,18siec.M0.06355kg/mol摩爾質(zhì)量邊界10–12,18ElectrodeReaction1ElectrodeReaction1選擇幾何實(shí)體層次邊界選擇邊界10–12,18方程SettingsDescriptionValue平衡電位用戶定義平衡電位0平衡電位溫度導(dǎo)數(shù)用戶定義平衡電位溫度導(dǎo)數(shù)0動(dòng)力學(xué)表達(dá)式類型Butler-Volmer受限電流密度關(guān)交換電流密度i0_c陽(yáng)極傳遞系數(shù)0.5陰極傳遞系數(shù)0.5變量名稱表達(dá)式單位描述選擇siec.itotsiec.iloc_er1A/m^2總界面電流密度邊界10–12,18siec.Eeq_er10V平衡電位邊界10–12,18siec.dEeqdT_er10V/K平衡電位溫度導(dǎo)數(shù)邊界10–12,18siec.iloc_er1siec.i0_er1*(exp(siec.alphaa_er1*F_const*siec.eta_er1/(R_const*model.input.minput_temperature))-exp(-siec.alphac_er1*F_const*siec.eta_er1/(R_const*model.input.minput_temperature)))A/m^2局部電流密度邊界10–12,18siec.eebii1.er1.ilocsiec.iloc_er1A/m^2局部電流密度邊界10–12,18siec.i0_er1i0_cA/m^2交換電流密度邊界10–12,18siec.alphaa_er10.51陽(yáng)極傳遞系數(shù)邊界10–12,18siec.alphac_er10.51陰極傳遞系數(shù)邊界10–12,18siec.Qirrev_er1siec.iloc_er1*siec.eta_er1W/m^2不可逆熱通量邊界10–12,18siec.Qrev_er1siec.iloc_er1*model.input.minput_temperature*siec.dEeqdT_er1W/m^2可逆熱通量邊界10–12,18siec.Qbfcsiec.Qrev_er1+siec.Qirrev_er1W/m^2電化學(xué)反應(yīng)邊界熱源邊界10–12,18siec.eta_er1siec.Ect-siec.Eeq_er1V過(guò)電位邊界10–12,18弱表達(dá)式弱表達(dá)式積分階次積分框架選擇siec.iloc_er1*siec.d*test(phil)2材料框架邊界10–12,18ElectrolytePotential1ElectrolytePotential1選擇幾何實(shí)體層次邊界選擇邊界3,8–9,17方程SettingsDescriptionValue邊界電解質(zhì)電位E_pol應(yīng)用反應(yīng)項(xiàng)所有物理場(chǎng)(對(duì)稱)使用弱項(xiàng)約束關(guān)約束方法單元變量名稱表達(dá)式單位描述選擇siec.philbndE_polV邊界電解質(zhì)電位邊界3,8–9,17形函數(shù)約束約束力形函數(shù)選擇siec.philbnd-philtest(siec.philbnd-phil)Lagrange(線性)邊界3,8–9,17Mesh1網(wǎng)格統(tǒng)計(jì)描述值最小單元質(zhì)量0.7742平均單元質(zhì)量0.9597三角形單元1822邊單元270頂點(diǎn)單元18Mesh1Size(size)設(shè)定描述值最大單元尺寸6.7E-4最小單元尺寸3.0E-6曲率因子0.3最大單元生長(zhǎng)率1.3FreeTriangular1(ftri1)FreeTriangular1Size1(size1)選擇幾何實(shí)體層次邊界選擇邊界3–5,8–12,14–15,17–20Size1設(shè)定描述值最大單元尺寸1.0E-4最小單元尺寸2.0E-7曲率因子0.2預(yù)定義尺寸極端細(xì)化Study1計(jì)算信息計(jì)算時(shí)間4sCPUIntel(R)Core(TM)i5-3210MCPU@2.50GHz,2

核操作系統(tǒng)Windows8Stationary研究設(shè)定描述值包含幾何非線性關(guān)物理場(chǎng)和變量選擇物理場(chǎng)接口離散化SecondaryCurrentDistribution(siec)physics網(wǎng)格選擇幾何網(wǎng)格Geometry1(geom1)mesh1求解器配置Solution1編譯方程:Stationary(st1)研究和步驟描述值使用研究Study1使用研究步驟Stationary因變量1(v1)通用描述值由研究步驟定義Stationary電解質(zhì)電位(comp1.phil)(comp1_phil)通用描述值場(chǎng)變量comp1.phil穩(wěn)態(tài)求解器1(s1)通用描述值由研究步驟定義StationaryLogStudy

1/Solution

1

(sol1)

穩(wěn)態(tài)求解器

1

開始于

11-五月-2016

14:58:44非線性求解器求解的自由度數(shù):1009(加

368

內(nèi)部自由度)對(duì)稱矩陣

縮放因變量電解質(zhì)電位

(comp1.phil):

1.2使用了正交零空間函數(shù)Iter

SolEst

ResEst

Damping

Stepsize

#Res

#Jac

#Sol

LinErr

LinRes

1

0.013

1.6e+003

1.0000000

0.037

2

1

2

3.4e-013

4.8e-016

2

0.02

1.3e+003

0.5960365

0.037

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