显然，计算是在Cf_D1上初始化的。完成此操作后，使用for循环（2到NROW次迭代）。

DI2 <- function(W=W, V=V, Ci=Ci, Cf=Cf, Cf_Des=Cf_Des, Vres=Vres, 
                Vfinal=Vfinal, onebyn_ads=onebyn_ads) {
  ## ini
  Ads <- (Ci - Cf)*(V/W)
  Ads_Des <- numeric(length(Cf_Des))
  Ci_x <- max(Cf, na.rm=T)/(Vfinal/Vres)
  Ads_Des[[1]] <- Ads_x <- max(Ads, na.rm=T) - (Cf_Des[[1]] - Ci_x)*(Vfinal/W)
  ## loop
  for (i in seq_along(Cf_Des)[-1]) {
    Des_x <- (Cf_Des[[i]] - Cf_Des[[i - 1]]/(Vfinal/Vres))*(Vfinal/W)
    Ads_Des[[i]] <- Ads_x <- Ads_x - Des_x
  }
  ## processing
  log_Cf_Des <- log10(Cf_Des)
  log_Ads_Des <- log10(Ads_Des)
  fit.slr <- lm(log_Ads_Des ~ log_Cf_Des)
  a <- 10^coef(fit.slr)[[1]]
  onebyn <- coef(fit.slr)[[2]]
  DI <- onebyn_ads/onebyn
  return(list(a=a, onebyn=onebyn, DI=DI))
}

with(df, DI2(W=2, V=20, Ci=Initial_conc, Cf=Equilibrium_conc, 
   Cf_Des=Cf_Des, Vres= 5, Vfinal=20, onebyn_ads=0.2056263))
# $a
# [1] 27.26784
# 
# $onebyn
# [1] 0.7923875
# 
# $DI
# [1] 0.2595022

对于原始 Dataframe df，DI和DI2的结果相等：

stopifnot(all.equal(with(df, DI(W=2, V=20, Ci=Initial_conc, Cf=Equilibrium_conc, 
                       Cf_Des=Cf_Des, Vres= 5, Vfinal=20, onebyn_ads=0.2056263)), 
          with(df, DI2(W=2, V=20, Ci=Initial_conc, Cf=Equilibrium_conc, 
                       Cf_Des=Cf_Des, Vres= 5, Vfinal=20, onebyn_ads=0.2056263))
          ))

现在在df2中使用任意行数：

with(df2, DI2(W=2, V=20, Ci=Initial_conc, Cf=Equilibrium_conc, 
             Cf_Des=Cf_Des, Vres= 5, Vfinal=20, onebyn_ads=0.2056263))
# $a
# [1] 178.621
# 
# $onebyn
# [1] 0.3131333
# 
# $DI
# [1] 0.6566735

• • 注意，**通过使用with，您可以避免在调用函数时指定df$。
• 数据：*

df <- structure(list(Initial_conc = c(10, 20, 40, 60), Equilibrium_conc = c(0.61958938580799, 
1.63333333333333, 17.27814490161, 35.1896333333333), Cf_Des = c(13.6284722222222, 
7.47767857142857, 6.0515873015873, 4.83630952380952)), row.names = c(NA, 
4L), class = "data.frame")

df2 <- structure(list(Initial_conc = c(10L, 20L, 40L, 60L, 80L, 100L, 
120L), Equilibrium_conc = c(0.6195894, 1.6333333, 17.2781449, 
35.1896333, 55.1896333, 85.1896333, 115.1896333), Cf_Des = c(13.628472, 
7.477679, 6.051587, 4.83631, 3.83631, 2.83631, 1.83631)), class = "data.frame", row.names = c("1", 
"2", "3", "4", "5", "6", "7"))

可以在函数中包含循环：

DI <- function(W=W, V=V, Ci=Ci, Cf=Cf, Cf_Des=Cf_Des, Vres=Vres, Vfinal=Vfinal, onebyn_ads=onebyn_ads) {
Ads <- (Ci - Cf)*(V/W)
Ads_Des <- c()
for (k in 1:length(Cf)){

  Cf_D1 <- Cf_Des[[k]]
  Ci_D1 <- max(Cf, na.rm=T)/(Vfinal/Vres)
  Des1 <- (Cf_D1 - Ci_D1)*(Vfinal/W)  
  Ads_D1 <- max(Ads, na.rm=T) - Des1
  Ads_Des <- append(Ads_Des, Ads_D1)
}

log_Cf_Des <- log10(Cf_Des)
log_Ads_Des <- log10(Ads_Des)
fit.slr <- lm(log_Ads_Des ~ log_Cf_Des)
a <- 10^coef(fit.slr)[[1]]
onebyn <- coef(fit.slr)[[2]]
DI <- onebyn_ads/onebyn
return(list(a=a, onebyn=onebyn, DI=DI))
}

5行示例：

df <- structure(list(Initial_conc = c(10, 20, 40, 60, 70), 
                 Equilibrium_conc = c(0.61958938580799,  1.63333333333333, 17.27814490161, 35.1896333333333, 40.5), 
                 Cf_Des = c(13.6284722222222, 7.47767857142857, 6.0515873015873, 4.83630952380952, 9.78)), row.names = c(NA, 5L), class = "data.frame")

调用您的函数：

DI(W=2, V=20, Ci=df$Initial_conc, Cf=df$Equilibrium_conc, Cf_Des=df$Cf_Des, Vres= 5, Vfinal=20, onebyn_ads=0.2056263)