氯堿薄膜電池作者COMSOL報告日期2016-5-1115:00:15總結本案例描述氯堿薄膜電池中陽極和陰極結構上的二次電流分布。模擬了整個電池中的一個單元。目錄TOC\o"1-2"\h\z\u1. 全局定義 PAGEREFcs9032202\h1.1. 參數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SI使用的模塊COMSOLMultiphysicsBatteries&FuelCellsModule參數1參數名稱表達式值描述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組件設定單位系統SI幾何形參階次automatic定義坐標系BoundarySystem1坐標系類型邊界坐標系標記sys1坐標名稱第一軸第二軸第三軸t1ntoGeometry1Geometry1單位長度單位m角度單位deg幾何統計描述值空間維度2域數3邊界數20端點數18Import1(imp1)設定描述值源COMSOLMultiphysics文件文件名chlor_alkali.mphbin材料Material1Material1選擇幾何實體層次域選擇域3材料參數名稱值單位電解質導電率K_cS/mElectrolyteconductivity設定DescriptionValue電解質導電率{{K_c,0,0},{0,K_c,0},{0,0,K_c}}Material2Material2選擇幾何實體層次域選擇域2材料參數名稱值單位電解質導電率K_mS/mElectrolyteconductivity設定DescriptionValue電解質導電率{{K_m,0,0},{0,K_m,0},{0,0,K_m}}Material3Material3選擇幾何實體層次域選擇域1材料參數名稱值單位電解質導電率K_aS/mElectrolyteconductivity設定DescriptionValue電解質導電率{{K_a,0,0},{0,K_a,0},{0,0,K_a}}SecondaryCurrentDistribution使用的模塊COMSOLMultiphysicsBatteries&FuelCellsModuleSecondaryCurrentDistribution選擇幾何實體層次域選擇域1–3EquationsSettingsDescriptionValue電解質電位線性計算邊界通量開應用平滑到邊界通量開電勢線性計算邊界通量開應用平滑到邊界通量開使用分裂復數變量時的值類型{復數,復數}厚度1[m]流線擴散開各向同性擴散關變量名稱表達式單位描述選擇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法向電解質電流密度邊界1–20siec.nil0A/m^2向內電解液電流密度域1–3siec.nis0A/m^2向內電極電流密度域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（網格），x分量邊界1–20siec.nymeshroot.nymesh法矢（網格），y分量邊界1–20siec.nzmeshroot.nzmesh法矢（網格），z分量邊界1–20Electrolyte1Electrolyte1選擇幾何實體層次域選擇域1–3方程SettingsDescriptionValue電解質導電率來自材料來自材料的屬性屬性材料屬性組電解質導電率Material1Electrolyteconductivity電解質導電率Material2Electrolyteconductivity電解質導電率Material3Electrolyteconductivity變量名稱表達式單位描述選擇siec.sigmalxxmaterial.sigmal11S/m電解質導電率，xx分量域1–3siec.sigmalyxmaterial.sigmal21S/m電解質導電率，yx分量域1–3siec.sigmalzxmaterial.sigmal31S/m電解質導電率，zx分量域1–3siec.sigmalxymaterial.sigmal12S/m電解質導電率，xy分量域1–3siec.sigmalyymaterial.sigmal22S/m電解質導電率，yy分量域1–3siec.sigmalzymaterial.sigmal32S/m電解質導電率，zy分量域1–3siec.sigmalxzmaterial.sigmal13S/m電解質導電率，xz分量域1–3siec.sigmalyzmaterial.sigmal23S/m電解質導電率，yz分量域1–3siec.sigmalzzmaterial.sigmal33S/m電解質導電率，zz分量域1–3siec.tEx-philTxV/m切向電場，x分量邊界1–20siec.tEy-philTyV/m切向電場，y分量邊界1–20siec.tEz0V/m切向電場，z分量邊界1–20siec.Ex-philxV/m電場，x分量域1–3siec.Ey-philyV/m電場，y分量域1–3siec.Ez0V/m電場，z分量域1–3siec.ilx-siec.sigmalxx*philx-siec.sigmalxy*philyA/m^2電解質電流密度，x分量域1–3siec.ily-siec.sigmalyx*philx-siec.sigmalyy*philyA/m^2電解質電流密度，y分量域1–3siec.ilz-siec.sigmalzx*philx-siec.sigmalzy*philyA/m^2電解質電流密度，z分量域1–3siec.Ilxsiec.ilxA/m^2電解質電流密度矢量，x分量域1–3siec.Ilysiec.ilyA/m^2電解質電流密度矢量，y分量域1–3siec.Ilzsiec.ilzA/m^2電解質電流密度矢量，z分量域1–3siec.philphilV電解質電位域1–3siec.sigmaleffxxsiec.sigmalxxS/m電解質導電率，xx分量域1–3siec.sigmaleffyxsiec.sigmalyxS/m電解質導電率，yx分量域1–3siec.sigmaleffzxsiec.sigmalzxS/m電解質導電率，zx分量域1–3siec.sigmaleffxysiec.sigmalxyS/m電解質導電率，xy分量域1–3siec.sigmaleffyysiec.sigmalyyS/m電解質導電率，yy分量域1–3siec.sigmaleffzysiec.sigmalzyS/m電解質導電率，zy分量域1–3siec.sigmaleffxzsiec.sigmalxzS/m電解質導電率，xz分量域1–3siec.sigmaleffyzsiec.sigmalyzS/m電解質導電率，yz分量域1–3siec.sigmaleffzzsiec.sigmalzzS/m電解質導電率，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形函數名稱形函數單位描述形函數框架選擇philLagrange(線性)V電解質電位材料框架域1–3弱表達式弱表達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選擇幾何實體層次邊界選擇邊界1–2,4–7,13–16方程形函數名稱形函數單位描述形函數框架選擇philLagrange(線性)V電解質電位材料框架沒有邊界phisLagrange(線性)V電勢材料框架沒有邊界InitialValues1InitialValues1選擇幾何實體層次域選擇域1–3SettingsDescriptionValue電解質電位E_pol電勢0ElectrodeSurface1ElectrodeSurface1選擇幾何實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摩爾質量0.06355密度8960邊界延伸補償開膜阻無膜阻邊界條件電勢擾動大小0外部電位0約束方法單元變量名稱表達式單位描述選擇siec.nilsiec.itotA/m^2向內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摩爾質量邊界10–12,18ElectrodeReaction1ElectrodeReaction1選擇幾何實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平衡電位溫度導數用戶定義平衡電位溫度導數0動力學表達式類型Butler-Volmer受限電流密度關交換電流密度i0_c陽極傳遞系數0.5陰極傳遞系數0.5變量名稱表達式單位描述選擇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平衡電位溫度導數邊界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陽極傳遞系數邊界10–12,18siec.alphac_er10.51陰極傳遞系數邊界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電化學反應邊界熱源邊界10–12,18siec.eta_er1siec.Ect-siec.Eeq_er1V過電位邊界10–12,18弱表達式弱表達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選擇幾何實體層次邊界選擇邊界3,8–9,17方程SettingsDescriptionValue邊界電解質電位E_pol應用反應項所有物理場（對稱）使用弱項約束關約束方法單元變量名稱表達式單位描述選擇siec.philbndE_polV邊界電解質電位邊界3,8–9,17形函數約束約束力形函數選擇siec.philbnd-philtest(siec.philbnd-phil)Lagrange(線性)邊界3,8–9,17Mesh1網格統計描述值最小單元質量0.7742平均單元質量0.9597三角形單元1822邊單元270頂點單元18Mesh1Size(size)設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最大單元生長率1.3FreeTriangular1(ftri1)FreeTriangular1Size1(size1)選擇幾何實體層次邊界選擇邊界3–5,8–12,14–15,17–20Size1設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預定義尺寸極端細化Study1計算信息計算時間4sCPUIntel(R)Core(TM)i5-3210MCPU@2.50GHz,2

核操作系統Windows8Stationary研究設定描述值包含幾何非線性關物理場和變量選擇物理場接口離散化SecondaryCurrentDistribution(siec)physics網格選擇幾何網格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電解質電位(comp1.phil)(comp1_phil)通用描述值場變量comp1.phil穩態求解器1(s1)通用描述值由研究步驟定義StationaryLogStudy

1/Solution

1

(sol1)

中

穩態求解器

1

開始于

11-五月-2016

14:58:44非線性求解器求解的自由度數：1009（加

368

內部自由度）對稱矩陣

縮放因變量電解質電位

(comp1.phil):

1.2使用了正交零空間函數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